 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer08_STD_M11_augccpVDZ.in
 Output=12_L-valine_conformer08_STD_M11_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/Gau-217461.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    217473.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=12_L-valine_conformer08_STD_M11_augccpVDZ
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 21:00:21 2021, MaxMem=  5368709120 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "12_L-valine_conformer08_STD_M11_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.412250000000     -0.293817000000     -0.659732000000
  C                                                 1.052491000000     -0.579308000000     -0.023478000000
  C                                                -0.027034000000      0.388733000000     -0.598813000000
  C                                                -1.390463000000     -0.046113000000     -0.106970000000
  O                                                -1.821402000000     -1.161736000000     -0.736457000000
  C                                                 1.133559000000     -0.529563000000      1.500987000000
  N                                                 0.135122000000      1.799703000000     -0.297606000000
  O                                                -2.020824000000      0.489404000000      0.767388000000
  H                                                -0.021936000000      0.253255000000     -1.684416000000
  H                                                 0.747954000000     -1.585935000000     -0.324216000000
  H                                                -2.672285000000     -1.401673000000     -0.337129000000
  H                                                -0.239600000000      2.012406000000      0.618715000000
  H                                                 1.104748000000      2.081912000000     -0.335804000000
  H                                                 1.429701000000      0.463432000000      1.845535000000
  H                                                 0.179505000000     -0.772294000000      1.970784000000
  H                                                 1.877624000000     -1.240196000000      1.864259000000
  H                                                 2.361305000000     -0.338696000000     -1.749450000000
  H                                                 2.788843000000      0.693074000000     -0.378253000000
  H                                                 3.151277000000     -1.024146000000     -0.326187000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 21:00:21 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.412250   -0.293817   -0.659732
      2          6           0        1.052491   -0.579308   -0.023478
      3          6           0       -0.027034    0.388733   -0.598813
      4          6           0       -1.390463   -0.046113   -0.106970
      5          8           0       -1.821402   -1.161736   -0.736457
      6          6           0        1.133559   -0.529563    1.500987
      7          7           0        0.135122    1.799703   -0.297606
      8          8           0       -2.020824    0.489404    0.767388
      9          1           0       -0.021936    0.253255   -1.684416
     10          1           0        0.747954   -1.585935   -0.324216
     11          1           0       -2.672285   -1.401673   -0.337129
     12          1           0       -0.239600    2.012406    0.618715
     13          1           0        1.104748    2.081912   -0.335804
     14          1           0        1.429701    0.463432    1.845535
     15          1           0        0.179505   -0.772294    1.970784
     16          1           0        1.877624   -1.240196    1.864259
     17          1           0        2.361305   -0.338696   -1.749450
     18          1           0        2.788843    0.693074   -0.378253
     19          1           0        3.151277   -1.024146   -0.326187
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.528159   0.000000
     3  C    2.533711   1.559964   0.000000
     4  C    3.850653   2.501858   1.513255   0.000000
     5  O    4.322381   3.017751   2.375428   1.351509   0.000000
     6  C    2.521772   1.527429   2.568930   3.031491   3.759999
     7  N    3.114366   2.564450   1.451846   2.402247   3.576408
     8  O    4.722526   3.348564   2.419057   1.203593   2.242227
     9  H    2.697133   2.146222   1.094036   2.109697   2.477681
    10  H    2.133547   1.093839   2.139001   2.644064   2.636566
    11  H    5.213819   3.827351   3.204900   1.879783   0.970069
    12  H    3.739706   2.966293   2.040557   2.467510   3.796547
    13  H    2.731040   2.679994   2.053524   3.287390   4.386813
    14  H    2.795566   2.173201   2.846488   3.467742   4.458422
    15  H    3.483347   2.185504   2.827273   2.703553   3.388871
    16  H    2.748088   2.163601   3.513952   3.998996   4.522463
    17  H    1.091831   2.179419   2.749051   4.105984   4.381619
    18  H    1.093164   2.181683   2.840851   4.252833   4.982267
    19  H    1.091235   2.166660   3.488870   4.651022   4.991472
                    6          7          8          9         10
     6  C    0.000000
     7  N    3.107619   0.000000
     8  O    3.395084   2.738467   0.000000
     9  H    3.477753   2.083125   3.172170   0.000000
    10  H    2.143823   3.440758   3.628328   2.413606   0.000000
    11  H    4.315518   4.258157   2.284848   3.402693   3.425223
    12  H    3.020857   1.012573   2.348275   2.906269   3.848693
    13  H    3.192872   1.010582   3.677270   2.536170   3.685178
    14  H    1.091995   2.838064   3.615135   3.822562   3.061454
    15  H    1.090801   3.429684   2.807399   3.801686   2.500434
    16  H    1.091146   4.117154   4.403696   4.293229   2.486989
    17  H    3.479818   3.411230   5.120867   2.456516   2.487931
    18  H    2.786817   2.876346   4.948421   3.130492   3.059743
    19  H    2.766652   4.131844   5.498852   3.680465   2.468111
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.299713   0.000000
    13  H    5.138224   1.650215   0.000000
    14  H    5.006888   2.586692   2.735564   0.000000
    15  H    3.722269   3.123827   3.784563   1.762299   0.000000
    16  H    5.057060   4.075958   4.058820   1.761628   1.764621
    17  H    5.334941   4.230909   3.071917   3.799370   4.334559
    18  H    5.849237   3.450514   2.183311   2.616340   3.804461
    19  H    5.835796   4.648821   3.719673   3.145328   3.764430
                   16         17         18         19
    16  H    0.000000
    17  H    3.755735   0.000000
    18  H    3.097856   1.768479   0.000000
    19  H    2.543015   1.766232   1.755823   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 8.83D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.412250   -0.293817   -0.659732
      2          6           0        1.052491   -0.579308   -0.023478
      3          6           0       -0.027034    0.388733   -0.598813
      4          6           0       -1.390463   -0.046113   -0.106970
      5          8           0       -1.821402   -1.161736   -0.736457
      6          6           0        1.133559   -0.529563    1.500987
      7          7           0        0.135122    1.799703   -0.297606
      8          8           0       -2.020824    0.489404    0.767388
      9          1           0       -0.021936    0.253255   -1.684416
     10          1           0        0.747954   -1.585935   -0.324216
     11          1           0       -2.672285   -1.401673   -0.337129
     12          1           0       -0.239600    2.012406    0.618715
     13          1           0        1.104748    2.081912   -0.335804
     14          1           0        1.429701    0.463432    1.845535
     15          1           0        0.179505   -0.772294    1.970784
     16          1           0        1.877624   -1.240196    1.864259
     17          1           0        2.361305   -0.338696   -1.749450
     18          1           0        2.788843    0.693074   -0.378253
     19          1           0        3.151277   -1.024146   -0.326187
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.9403174           1.4385027           1.3450378
 Leave Link  202 at Thu Aug 12 21:00:21 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  24 primitive shells out of 312 were deleted.
 There are   299 symmetry adapted cartesian basis functions of A   symmetry.
 There are   283 symmetry adapted basis functions of A   symmetry.
   283 basis functions,   508 primitive gaussians,   299 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       408.6814012426 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 21:00:22 2021, MaxMem=  5368709120 cpu:              10.9 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   283 RedAO= T EigKep=  6.20D-06  NBF=   283
 NBsUse=   283 1.00D-06 EigRej= -1.00D+00 NBFU=   283
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   299   299   299   299   299 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Aug 12 21:00:23 2021, MaxMem=  5368709120 cpu:               2.2 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 21:00:23 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer08_STD_M11_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 21:00:23 2021, MaxMem=  5368709120 cpu:               2.0 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368524961 LenY=  5368435119
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -402.208244745816    
 DIIS: error= 2.35D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -402.208244745816     IErMin= 1 ErrMin= 2.35D-03
 ErrMax= 2.35D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.27D-02 BMatP= 1.27D-02
 IDIUse=3 WtCom= 9.77D-01 WtEn= 2.35D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.438 Goal=   None    Shift=    0.000
 GapD=    0.438 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.67D-02 MaxDP=1.24D+00              OVMax= 2.15D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.65D-02    CP:  1.09D+00
 E= -402.220336084247     Delta-E=       -0.012091338431 Rises=F Damp=F
 DIIS: error= 9.96D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -402.220336084247     IErMin= 2 ErrMin= 9.96D-04
 ErrMax= 9.96D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.14D-04 BMatP= 1.27D-02
 IDIUse=3 WtCom= 9.90D-01 WtEn= 9.96D-03
 Coeff-Com: -0.298D-02 0.100D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.295D-02 0.100D+01
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=3.12D-03 MaxDP=3.57D-01 DE=-1.21D-02 OVMax= 8.12D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.22D-03    CP:  1.12D+00  1.17D+00
 E= -402.220677105441     Delta-E=       -0.000341021195 Rises=F Damp=F
 DIIS: error= 8.69D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -402.220677105441     IErMin= 3 ErrMin= 8.69D-04
 ErrMax= 8.69D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.52D-04 BMatP= 6.14D-04
 IDIUse=3 WtCom= 9.91D-01 WtEn= 8.69D-03
 Coeff-Com: -0.513D-01 0.509D+00 0.543D+00
 Coeff-En:   0.000D+00 0.203D+00 0.797D+00
 Coeff:     -0.509D-01 0.506D+00 0.545D+00
 Gap=     0.340 Goal=   None    Shift=    0.000
 RMSDP=3.78D-04 MaxDP=3.86D-02 DE=-3.41D-04 OVMax= 3.04D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.52D-04    CP:  1.13D+00  1.19D+00  1.10D+00
 E= -402.221044166596     Delta-E=       -0.000367061155 Rises=F Damp=F
 DIIS: error= 1.09D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -402.221044166596     IErMin= 4 ErrMin= 1.09D-04
 ErrMax= 1.09D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.16D-05 BMatP= 5.52D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.09D-03
 Coeff-Com: -0.969D-02 0.317D-01 0.106D+00 0.872D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.968D-02 0.317D-01 0.106D+00 0.872D+00
 Gap=     0.339 Goal=   None    Shift=    0.000
 RMSDP=1.03D-04 MaxDP=2.88D-03 DE=-3.67D-04 OVMax= 1.34D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  9.09D-05    CP:  1.13D+00  1.19D+00  1.12D+00  1.14D+00
 E= -402.221055837428     Delta-E=       -0.000011670832 Rises=F Damp=F
 DIIS: error= 8.02D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -402.221055837428     IErMin= 5 ErrMin= 8.02D-05
 ErrMax= 8.02D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.36D-06 BMatP= 1.16D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.313D-02-0.626D-01-0.356D-01 0.451D+00 0.644D+00
 Coeff:      0.313D-02-0.626D-01-0.356D-01 0.451D+00 0.644D+00
 Gap=     0.340 Goal=   None    Shift=    0.000
 RMSDP=4.50D-05 MaxDP=4.34D-03 DE=-1.17D-05 OVMax= 5.75D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.58D-05    CP:  1.13D+00  1.19D+00  1.12D+00  1.22D+00  1.33D+00
 E= -402.221060538671     Delta-E=       -0.000004701243 Rises=F Damp=F
 DIIS: error= 1.90D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -402.221060538671     IErMin= 6 ErrMin= 1.90D-05
 ErrMax= 1.90D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.43D-07 BMatP= 5.36D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.232D-02-0.275D-01-0.273D-01 0.767D-01 0.240D+00 0.736D+00
 Coeff:      0.232D-02-0.275D-01-0.273D-01 0.767D-01 0.240D+00 0.736D+00
 Gap=     0.340 Goal=   None    Shift=    0.000
 RMSDP=2.27D-05 MaxDP=2.63D-03 DE=-4.70D-06 OVMax= 2.62D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  7.28D-06    CP:  1.13D+00  1.19D+00  1.12D+00  1.25D+00  1.45D+00
                    CP:  1.27D+00
 E= -402.221060926152     Delta-E=       -0.000000387481 Rises=F Damp=F
 DIIS: error= 5.10D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -402.221060926152     IErMin= 7 ErrMin= 5.10D-06
 ErrMax= 5.10D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.60D-08 BMatP= 3.43D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.225D-04 0.337D-02-0.375D-03-0.486D-01-0.372D-01 0.155D+00
 Coeff-Com:  0.927D+00
 Coeff:      0.225D-04 0.337D-02-0.375D-03-0.486D-01-0.372D-01 0.155D+00
 Coeff:      0.927D+00
 Gap=     0.340 Goal=   None    Shift=    0.000
 RMSDP=1.38D-05 MaxDP=1.59D-03 DE=-3.87D-07 OVMax= 1.58D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.18D-06    CP:  1.13D+00  1.19D+00  1.11D+00  1.25D+00  1.50D+00
                    CP:  1.34D+00  1.51D+00
 E= -402.221060981578     Delta-E=       -0.000000055427 Rises=F Damp=F
 DIIS: error= 1.33D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -402.221060981578     IErMin= 8 ErrMin= 1.33D-06
 ErrMax= 1.33D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.45D-09 BMatP= 2.60D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.187D-03 0.290D-02 0.242D-02-0.166D-01-0.266D-01-0.411D-01
 Coeff-Com:  0.173D+00 0.906D+00
 Coeff:     -0.187D-03 0.290D-02 0.242D-02-0.166D-01-0.266D-01-0.411D-01
 Coeff:      0.173D+00 0.906D+00
 Gap=     0.340 Goal=   None    Shift=    0.000
 RMSDP=3.82D-06 MaxDP=3.37D-04 DE=-5.54D-08 OVMax= 5.46D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  9.05D-07    CP:  1.13D+00  1.19D+00  1.11D+00  1.25D+00  1.52D+00
                    CP:  1.36D+00  1.73D+00  1.31D+00
 E= -402.221060986942     Delta-E=       -0.000000005364 Rises=F Damp=F
 DIIS: error= 6.47D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -402.221060986942     IErMin= 9 ErrMin= 6.47D-07
 ErrMax= 6.47D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.89D-10 BMatP= 2.45D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.574D-04 0.544D-03 0.870D-03-0.140D-03-0.405D-02-0.300D-01
 Coeff-Com: -0.467D-01 0.279D+00 0.801D+00
 Coeff:     -0.574D-04 0.544D-03 0.870D-03-0.140D-03-0.405D-02-0.300D-01
 Coeff:     -0.467D-01 0.279D+00 0.801D+00
 Gap=     0.340 Goal=   None    Shift=    0.000
 RMSDP=8.54D-07 MaxDP=5.37D-05 DE=-5.36D-09 OVMax= 1.83D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.03D-07    CP:  1.13D+00  1.19D+00  1.11D+00  1.25D+00  1.52D+00
                    CP:  1.37D+00  1.79D+00  1.41D+00  1.17D+00
 E= -402.221060987610     Delta-E=       -0.000000000667 Rises=F Damp=F
 DIIS: error= 1.87D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -402.221060987610     IErMin=10 ErrMin= 1.87D-07
 ErrMax= 1.87D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.98D-11 BMatP= 3.89D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.884D-05-0.248D-03-0.769D-04 0.221D-02 0.279D-02-0.193D-02
 Coeff-Com: -0.349D-01-0.576D-01 0.176D+00 0.913D+00
 Coeff:      0.884D-05-0.248D-03-0.769D-04 0.221D-02 0.279D-02-0.193D-02
 Coeff:     -0.349D-01-0.576D-01 0.176D+00 0.913D+00
 Gap=     0.340 Goal=   None    Shift=    0.000
 RMSDP=3.01D-07 MaxDP=1.45D-05 DE=-6.67D-10 OVMax= 7.10D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.09D-07    CP:  1.13D+00  1.19D+00  1.11D+00  1.25D+00  1.52D+00
                    CP:  1.37D+00  1.81D+00  1.45D+00  1.29D+00  1.39D+00
 E= -402.221060987711     Delta-E=       -0.000000000102 Rises=F Damp=F
 DIIS: error= 5.53D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -402.221060987711     IErMin=11 ErrMin= 5.53D-08
 ErrMax= 5.53D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.38D-12 BMatP= 3.98D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.900D-05-0.128D-03-0.117D-03 0.588D-03 0.126D-02 0.270D-02
 Coeff-Com: -0.408D-02-0.443D-01-0.366D-01 0.252D+00 0.829D+00
 Coeff:      0.900D-05-0.128D-03-0.117D-03 0.588D-03 0.126D-02 0.270D-02
 Coeff:     -0.408D-02-0.443D-01-0.366D-01 0.252D+00 0.829D+00
 Gap=     0.340 Goal=   None    Shift=    0.000
 RMSDP=7.27D-08 MaxDP=3.66D-06 DE=-1.02D-10 OVMax= 1.77D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  3.70D-08    CP:  1.13D+00  1.19D+00  1.11D+00  1.25D+00  1.52D+00
                    CP:  1.37D+00  1.81D+00  1.45D+00  1.33D+00  1.50D+00
                    CP:  1.19D+00
 E= -402.221060987705     Delta-E=        0.000000000006 Rises=F Damp=F
 DIIS: error= 1.64D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -402.221060987711     IErMin=12 ErrMin= 1.64D-08
 ErrMax= 1.64D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.10D-13 BMatP= 4.38D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.548D-06 0.332D-05-0.130D-04-0.118D-03-0.360D-04 0.661D-03
 Coeff-Com:  0.259D-02-0.211D-02-0.249D-01-0.434D-01 0.146D+00 0.921D+00
 Coeff:      0.548D-06 0.332D-05-0.130D-04-0.118D-03-0.360D-04 0.661D-03
 Coeff:      0.259D-02-0.211D-02-0.249D-01-0.434D-01 0.146D+00 0.921D+00
 Gap=     0.340 Goal=   None    Shift=    0.000
 RMSDP=3.43D-08 MaxDP=4.32D-06 DE= 6.25D-12 OVMax= 5.51D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.39D-08    CP:  1.13D+00  1.19D+00  1.11D+00  1.25D+00  1.52D+00
                    CP:  1.37D+00  1.81D+00  1.45D+00  1.34D+00  1.53D+00
                    CP:  1.26D+00  1.17D+00
 E= -402.221060987694     Delta-E=        0.000000000010 Rises=F Damp=F
 DIIS: error= 4.94D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -402.221060987711     IErMin=13 ErrMin= 4.94D-09
 ErrMax= 4.94D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.95D-14 BMatP= 3.10D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.670D-06 0.119D-04 0.723D-05-0.800D-04-0.121D-03-0.768D-04
 Coeff-Com:  0.909D-03 0.341D-02-0.266D-02-0.312D-01-0.439D-01 0.214D+00
 Coeff-Com:  0.860D+00
 Coeff:     -0.670D-06 0.119D-04 0.723D-05-0.800D-04-0.121D-03-0.768D-04
 Coeff:      0.909D-03 0.341D-02-0.266D-02-0.312D-01-0.439D-01 0.214D+00
 Coeff:      0.860D+00
 Gap=     0.340 Goal=   None    Shift=    0.000
 RMSDP=8.01D-09 MaxDP=6.90D-07 DE= 1.05D-11 OVMax= 1.38D-07

 SCF Done:  E(RM11) =  -402.221060988     A.U. after   13 cycles
            NFock= 13  Conv=0.80D-08     -V/T= 2.0071
 KE= 3.994009383623D+02 PE=-1.755828632304D+03 EE= 5.455252317114D+02
 Leave Link  502 at Thu Aug 12 21:02:52 2021, MaxMem=  5368709120 cpu:            1181.6 elap:             148.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   283
 NBasis=   283 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    283 NOA=    32 NOB=    32 NVA=   251 NVB=   251

 **** Warning!!: The largest alpha MO coefficient is  0.71368989D+02

 Leave Link  801 at Thu Aug 12 21:02:52 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5894 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.34D-13 8.33D-09 XBig12= 1.00D+00 1.75D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.34D-13 8.33D-09 XBig12= 1.22D-01 3.85D-02.
     11 vectors produced by pass  2 Test12= 1.34D-13 8.33D-09 XBig12= 1.65D-02 1.67D-02.
     11 vectors produced by pass  3 Test12= 1.34D-13 8.33D-09 XBig12= 1.95D-03 6.91D-03.
     11 vectors produced by pass  4 Test12= 1.34D-13 8.33D-09 XBig12= 1.02D-04 1.69D-03.
     11 vectors produced by pass  5 Test12= 1.34D-13 8.33D-09 XBig12= 4.47D-06 2.56D-04.
     11 vectors produced by pass  6 Test12= 1.34D-13 8.33D-09 XBig12= 2.06D-07 4.51D-05.
     11 vectors produced by pass  7 Test12= 1.34D-13 8.33D-09 XBig12= 5.31D-09 8.30D-06.
     11 vectors produced by pass  8 Test12= 1.34D-13 8.33D-09 XBig12= 1.02D-10 1.20D-06.
     10 vectors produced by pass  9 Test12= 1.34D-13 8.33D-09 XBig12= 1.53D-12 1.31D-07.
      5 vectors produced by pass 10 Test12= 1.34D-13 8.33D-09 XBig12= 2.31D-14 1.67D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   114 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.880671D+02
      2 -0.158823D+00  0.777365D+02
      3 -0.244228D+01  0.193120D+01  0.758147D+02
 Isotropic polarizability for W=    0.088559       80.54 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.761869D+02 -0.242241D+02  0.302960D+01
      2  -0.419834D+02  0.250965D+02 -0.910357D+01
      3  -0.342035D+02 -0.872390D+00  0.607397D+01
      4  -0.252669D+02  0.485842D+02 -0.186013D+02
      5   0.111695D+02 -0.209284D+02  0.631533D+02
      6  -0.515162D+01  0.135771D+01 -0.703303D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.236152D+01  0.146183D+01 -0.105152D+01
      2   0.569586D+01 -0.687667D+01  0.315116D+02
      3   0.696255D+01 -0.273295D+02  0.798538D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.232704D+01  0.104613D+02  0.616064D+01
      2  -0.813990D+01 -0.134497D+02  0.973568D+02
      3  -0.104277D+01 -0.905676D+02  0.157768D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.274063D-01 -0.149925D+01 -0.838025D+00
      2  -0.149925D+01 -0.550504D+00 -0.196885D+00
      3  -0.838025D+00 -0.196885D+00 -0.674909D+00
 OR G Eigenvalues:    -2.1513    -0.4740     1.3726  Iso=     0.4176
 Eigenvectors:
   (1)   0.627151   0.641658   0.441538
   (2)  -0.086930  -0.505673   0.858334
   (3)   0.774031  -0.576688  -0.261354
 w=    0.088559 a.u., Optical Rotation Beta=      0.4176 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =      180.76 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   40186 ScalPx= 1.40D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 9.45D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.23D-14 2.78D-09 XBig12= 1.00D+00 4.48D-01.
     30 vectors produced by pass  1 Test12= 2.23D-14 2.78D-09 XBig12= 2.00D-02 2.74D-02.
     30 vectors produced by pass  2 Test12= 2.23D-14 2.78D-09 XBig12= 9.33D-04 5.30D-03.
     30 vectors produced by pass  3 Test12= 2.23D-14 2.78D-09 XBig12= 1.63D-05 6.53D-04.
     30 vectors produced by pass  4 Test12= 2.23D-14 2.78D-09 XBig12= 2.63D-07 6.71D-05.
     30 vectors produced by pass  5 Test12= 2.23D-14 2.78D-09 XBig12= 4.48D-09 6.20D-06.
     30 vectors produced by pass  6 Test12= 2.23D-14 2.78D-09 XBig12= 4.61D-11 5.30D-07.
     30 vectors produced by pass  7 Test12= 2.23D-14 2.78D-09 XBig12= 3.77D-13 6.32D-08.
      4 vectors produced by pass  8 Test12= 2.23D-14 2.78D-09 XBig12= 2.96D-15 5.27D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   244 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 7.83D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 7.83D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.83D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.880671D+02 -0.158823D+00 -0.244228D+01
      2  -0.158823D+00  0.777365D+02  0.193120D+01
      3  -0.244228D+01  0.193120D+01  0.758147D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.236152D+01  0.146183D+01 -0.105152D+01
      2   0.569586D+01 -0.687667D+01  0.315116D+02
      3   0.696255D+01 -0.273295D+02  0.798538D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.761869D+02 -0.242241D+02  0.302960D+01
      2  -0.419834D+02  0.250965D+02 -0.910357D+01
      3  -0.342035D+02 -0.872390D+00  0.607397D+01
      4  -0.252669D+02  0.485842D+02 -0.186013D+02
      5   0.111695D+02 -0.209284D+02  0.631533D+02
      6  -0.515162D+01  0.135771D+01 -0.703303D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.161427D+00  0.248146D+01 -0.349929D+01  0.387236D+01 -0.473725D+01
      2   0.248146D+01 -0.419830D+01  0.146667D+00 -0.473725D+01 -0.263150D+01
      3  -0.349929D+01  0.146667D+00  0.109621D+01 -0.417901D-01 -0.207218D+01
                 6             7             8             9            10 
      1  -0.417901D-01 -0.469267D+01  0.482465D+00 -0.120908D+00  0.162088D+01
      2  -0.207218D+01  0.482465D+00 -0.244931D+01  0.372070D+00 -0.286453D+01
      3   0.499493D+00 -0.120908D+00  0.372070D+00  0.737046D+01  0.426084D+01
                11            12            13            14            15 
      1  -0.286453D+01  0.426084D+01 -0.621362D+01  0.462699D+01  0.180355D+00
      2   0.440982D+01  0.287567D+00  0.462699D+01  0.406846D+01  0.306040D+01
      3   0.287567D+00 -0.345496D+00  0.180355D+00  0.306040D+01  0.271143D-01
                16            17            18            19            20 
      1   0.649036D+01 -0.355262D+00 -0.958234D-02 -0.377867D+01  0.449579D+01
      2  -0.355262D+00  0.336930D+01  0.222918D+00  0.449579D+01 -0.225934D+01
      3  -0.958234D-02  0.222918D+00 -0.527039D+01 -0.138766D+01  0.556313D+00
                21            22            23            24            25 
      1  -0.138766D+01  0.704536D+01 -0.173622D+01 -0.573359D-01 -0.346102D+01
      2   0.556313D+00 -0.173622D+01 -0.191564D+00 -0.469276D+00  0.606993D+00
      3  -0.495472D+00 -0.573359D-01 -0.469276D+00  0.211128D+01 -0.634804D+00
                26            27            28            29            30 
      1   0.606993D+00 -0.634804D+00  0.909524D+00 -0.272257D+01 -0.787949D+00
      2  -0.242570D+01  0.219887D+01 -0.272257D+01  0.851989D-01  0.156202D+01
      3   0.219887D+01  0.664052D+01 -0.787949D+00  0.156202D+01  0.251091D+00
                31            32            33            34            35 
      1  -0.311184D+01  0.298530D-01  0.160696D+01 -0.334388D+01  0.166416D+01
      2   0.298530D-01 -0.610821D+00  0.365170D+00  0.166416D+01 -0.231372D+00
      3   0.160696D+01  0.365170D+00 -0.149046D+01  0.158765D+01 -0.112542D+01
                36            37            38            39            40 
      1   0.158765D+01  0.450804D+01  0.140786D+01 -0.166813D+01  0.129532D-01
      2  -0.112542D+01  0.140786D+01  0.169136D+01 -0.708159D+00 -0.819775D-01
      3  -0.302175D+01 -0.166813D+01 -0.708159D+00  0.412321D+00 -0.873149D+00
                41            42            43            44            45 
      1  -0.819775D-01 -0.873149D+00 -0.347007D+01 -0.173664D+01 -0.990111D+00
      2  -0.321265D+01 -0.164328D+01 -0.173664D+01 -0.213970D+01 -0.153937D+01
      3  -0.164328D+01 -0.648674D+00 -0.990111D+00 -0.153937D+01 -0.271103D+01
                46            47            48            49            50 
      1   0.136342D+01  0.326899D+01 -0.461664D+01  0.326444D+01 -0.351348D+01
      2   0.326899D+01 -0.331639D+01  0.145944D+00 -0.351348D+01 -0.254811D+01
      3  -0.461664D+01  0.145944D+00  0.638985D+00  0.136816D+00 -0.345083D+01
                51            52            53            54            55 
      1   0.136816D+00 -0.371522D+01 -0.428655D-01  0.419454D+00 -0.381700D+01
      2  -0.345083D+01 -0.428655D-01 -0.283401D+01 -0.929055D-01 -0.666236D+00
      3   0.466492D+00  0.419454D+00 -0.929055D-01  0.353709D+01  0.419519D-01
                56            57            58            59            60 
      1  -0.666236D+00  0.419519D-01 -0.197553D+01 -0.498729D+00 -0.980512D-03
      2  -0.621313D-01 -0.303983D+00 -0.498729D+00  0.479777D+01 -0.142835D+01
      3  -0.303983D+00  0.153819D+01 -0.980512D-03 -0.142835D+01 -0.158877D+01
                61            62            63            64            65 
      1  -0.571728D-01 -0.766395D+00  0.903552D+00 -0.620429D+01  0.235653D+01
      2  -0.766395D+00 -0.415824D+00 -0.477501D+00  0.235653D+01 -0.169789D+01
      3   0.903552D+00 -0.477501D+00 -0.357441D+01  0.292048D+01 -0.135027D+01
                66            67            68            69            70 
      1   0.292048D+01  0.368930D+01 -0.210216D+01 -0.105329D+01  0.551062D+01
      2  -0.135027D+01 -0.210216D+01  0.389140D+01  0.189802D+01 -0.972467D+00
      3  -0.185354D+01 -0.105329D+01  0.189802D+01  0.176685D+01 -0.289749D+01
                71            72            73            74            75 
      1  -0.972467D+00 -0.289749D+01  0.539424D+00 -0.805295D+00 -0.112964D+01
      2   0.237013D+01  0.216320D+01 -0.805295D+00  0.462661D+00  0.863054D-02
      3   0.216320D+01  0.614990D+01 -0.112964D+01  0.863054D-02  0.246666D+00
                76            77            78            79            80 
      1  -0.127095D+01  0.228968D+00  0.503879D-01 -0.128181D+01 -0.738865D-01
      2   0.228968D+00 -0.198323D+00 -0.127866D+01 -0.738865D-01 -0.160647D+01
      3   0.503879D-01 -0.127866D+01 -0.766656D+00  0.966235D-01 -0.821440D+00
                81            82            83            84            85 
      1   0.966235D-01 -0.143755D+01 -0.106292D+01 -0.105685D+01 -0.107583D+01
      2  -0.821440D+00 -0.106292D+01 -0.156631D+01 -0.179325D+00 -0.137240D+01
      3  -0.907655D+01 -0.105685D+01 -0.179325D+00 -0.451338D+00 -0.108768D+00
                86            87            88            89            90 
      1  -0.137240D+01 -0.108768D+00 -0.134122D+01 -0.174139D+00 -0.209502D+00
      2  -0.798826D+01 -0.166089D+01 -0.174139D+00 -0.181109D+01 -0.161773D+01
      3  -0.166089D+01 -0.160911D+01 -0.209502D+00 -0.161773D+01 -0.585584D+00
                91            92            93            94            95 
      1  -0.702235D+01 -0.330995D+01  0.241813D+00 -0.203872D+01 -0.170007D+01
      2  -0.330995D+01 -0.264524D+01  0.200048D-01 -0.170007D+01 -0.205051D+01
      3   0.241813D+00  0.200048D-01 -0.105025D+01  0.159760D+00  0.368766D-01
                96            97            98            99           100 
      1   0.159760D+00  0.240480D+01  0.129678D+01 -0.939742D+00 -0.105925D+01
      2   0.368766D-01  0.129678D+01  0.104989D+01 -0.525100D+00  0.196428D+00
      3  -0.532313D+00 -0.939742D+00 -0.525100D+00  0.344499D+00  0.517596D+00
               101           102           103           104           105 
      1   0.196428D+00  0.517596D+00  0.481167D+00 -0.327357D+00 -0.106293D+00
      2  -0.133999D+01 -0.224970D+00 -0.327357D+00  0.146047D+01  0.860125D+00
      3  -0.224970D+00 -0.183297D+01 -0.106293D+00  0.860125D+00  0.187486D+01
               106           107           108           109           110 
      1   0.147041D+01 -0.822336D-01 -0.975874D+00  0.575347D+01  0.218551D+01
      2  -0.822336D-01  0.211987D+01  0.179141D+01  0.218551D+01  0.248057D+01
      3  -0.975874D+00  0.179141D+01  0.390954D+01 -0.371300D+00  0.163559D+00
               111           112           113           114           115 
      1  -0.371300D+00  0.228372D+01  0.118046D+01  0.359979D+00 -0.782592D+00
      2   0.163559D+00  0.118046D+01  0.179574D+01 -0.304884D-01  0.354702D+00
      3   0.660703D+00  0.359979D+00 -0.304884D-01  0.743211D+00  0.258287D+00
               116           117           118           119           120 
      1   0.354702D+00  0.258287D+00  0.937450D+00  0.749941D+00  0.117290D+01
      2  -0.427517D+00  0.556735D+00  0.749941D+00  0.138759D+01  0.584286D+00
      3   0.556735D+00 -0.360808D+00  0.117290D+01  0.584286D+00  0.826868D+00
               121           122           123           124           125 
      1   0.133734D+01  0.129014D+01  0.881134D+00  0.875077D+00  0.474406D+00
      2   0.129014D+01  0.517779D+01  0.197930D+01  0.474406D+00  0.163055D+01
      3   0.881134D+00  0.197930D+01  0.293204D+01  0.460944D+00  0.156854D+01
               126           127           128           129           130 
      1   0.460944D+00 -0.540208D+01 -0.124339D+01  0.236256D+01 -0.118203D+01
      2   0.156854D+01 -0.124339D+01 -0.102350D+01  0.909640D+00 -0.630758D+00
      3   0.173614D+01  0.236256D+01  0.909640D+00 -0.327633D+01  0.568681D+00
               131           132           133           134           135 
      1  -0.630758D+00  0.568681D+00  0.176310D+01  0.585553D+00 -0.207046D+01
      2  -0.722881D+00  0.123871D+01  0.585553D+00  0.931983D+00 -0.750181D+00
      3   0.123871D+01 -0.102101D+01 -0.207046D+01 -0.750181D+00  0.267431D+01
               136           137           138           139           140 
      1   0.403870D+01 -0.262124D+01  0.258831D+01 -0.284561D+01  0.262202D+01
      2  -0.262124D+01  0.256733D+01 -0.140271D+01  0.262202D+01 -0.339098D+01
      3   0.258831D+01 -0.140271D+01  0.234512D+01 -0.145954D+01  0.236909D+01
               141           142           143           144           145 
      1  -0.145954D+01  0.152728D+01 -0.925015D+00  0.157430D+01  0.126519D+00
      2   0.236909D+01 -0.925015D+00  0.154436D+01 -0.157747D+01 -0.233255D+00
      3  -0.242935D+01  0.157430D+01 -0.157747D+01  0.203684D+01 -0.799989D+00
               146           147           148           149           150 
      1  -0.233255D+00 -0.799989D+00 -0.508535D+00  0.740863D+00  0.625931D-01
      2   0.256480D+00  0.722905D-02  0.740863D+00 -0.102015D-02 -0.976223D+00
      3   0.722905D-02 -0.381119D-01  0.625931D-01 -0.976223D+00 -0.410007D+00
               151           152           153           154           155 
      1  -0.187307D+01  0.122411D+00  0.189965D+01  0.234546D+01  0.157611D+01
      2   0.122411D+00 -0.106949D+01 -0.342350D+00  0.157611D+01  0.210152D+01
      3   0.189965D+01 -0.342350D+00 -0.981209D+01  0.469281D+00  0.832418D-01
               156           157           158           159           160 
      1   0.469281D+00  0.298738D+01  0.251390D+01 -0.125072D+00  0.145406D+01
      2   0.832418D-01  0.251390D+01  0.554427D+01  0.585926D+00  0.351492D+00
      3   0.437554D+00 -0.125072D+00  0.585926D+00  0.125117D+01  0.568693D+00
               161           162           163           164           165 
      1   0.351492D+00  0.568693D+00  0.641688D+01 -0.318924D+01  0.741724D+00
      2   0.126684D+01  0.854798D+00 -0.318924D+01  0.266656D+01 -0.305683D+00
      3   0.854798D+00 -0.625682D-01  0.741724D+00 -0.305683D+00  0.889794D+00
               166           167           168           169           170 
      1  -0.475135D+01  0.346721D+01 -0.180453D+00  0.252304D+01 -0.810058D+00
      2   0.346721D+01 -0.318928D+01  0.616557D+00 -0.810058D+00  0.112755D+01
      3  -0.180453D+00  0.616557D+00 -0.117616D+01  0.107931D+01 -0.859075D+00
               171 
      1   0.107931D+01
      2  -0.859075D+00
      3   0.758928D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.354423D+01  0.374335D+01  0.445533D+00  0.479901D+01  0.144664D+01
      2  -0.914387D+01  0.233968D+01  0.105160D+01  0.345448D+01 -0.963681D+01
      3  -0.704912D+01  0.927200D+01  0.124927D+01  0.173390D+02  0.104982D+02
                 6             7             8             9            10 
      1  -0.568064D+00  0.611877D+00  0.345433D+01  0.144451D+01  0.351339D+01
      2   0.984043D+00 -0.888459D+01  0.126572D+01  0.218964D+02  0.760045D+01
      3   0.443052D+01 -0.815111D+00  0.673240D+01 -0.112559D+01  0.100845D+01
                11            12            13            14            15 
      1  -0.786425D+00  0.573213D-01 -0.771095D+00  0.419182D+01 -0.510669D+01
      2  -0.138283D+01  0.431309D+01 -0.415890D+01  0.449687D+01 -0.390081D+00
      3  -0.440008D+01 -0.185524D+01  0.158482D+01 -0.115811D+02 -0.340680D+01
                16            17            18            19            20 
      1  -0.677081D+00  0.197263D+01 -0.279090D+01 -0.285434D+01 -0.387636D+00
      2  -0.258043D+01  0.959768D+00 -0.540092D+01 -0.158629D+01  0.221514D+01
      3  -0.959610D+00 -0.289244D+01 -0.787291D+00  0.757566D+01 -0.594148D+01
                21            22            23            24            25 
      1  -0.123884D+01  0.201206D+01  0.167893D+00  0.230774D+01 -0.298558D+01
      2   0.215868D+01  0.597842D+01 -0.179497D+01  0.253818D+01 -0.763831D+01
      3   0.782184D+00  0.167647D+01  0.568836D+00 -0.661673D+00 -0.222633D+01
                26            27            28            29            30 
      1   0.511134D+01 -0.253827D+01  0.156221D+01  0.333871D+01  0.191134D+01
      2   0.116817D+01 -0.176156D+01 -0.648612D+01 -0.124376D+01 -0.480197D+01
      3   0.158772D+01  0.458892D+00 -0.104263D+02  0.215231D+01 -0.194271D+01
                31            32            33            34            35 
      1   0.100339D+00 -0.790847D+01 -0.740725D+00  0.116741D+01  0.223512D+01
      2   0.326509D+01  0.211600D+01  0.315635D+00 -0.105586D+02  0.157818D+00
      3   0.483258D+01  0.381948D+01 -0.242400D+01 -0.583268D+01 -0.664554D+01
                36            37            38            39            40 
      1   0.656992D+01 -0.300332D+01 -0.782438D+00 -0.486583D+00  0.677471D-02
      2   0.892406D+01  0.606590D+01  0.282106D+01  0.996755D+00 -0.270893D+01
      3  -0.220576D+01 -0.139890D+01 -0.123827D+01  0.805556D+00  0.480054D+01
                41            42            43            44            45 
      1   0.233415D+01 -0.435572D+01  0.263767D+01  0.343800D+01 -0.294579D+01
      2   0.238335D+01  0.201956D+01 -0.495817D+01  0.158456D+01  0.574883D+01
      3  -0.776472D+01 -0.227130D+01  0.248406D+01 -0.208411D+01 -0.289183D+01
                46            47            48            49            50 
      1   0.291005D+01 -0.603123D+01  0.466357D+00 -0.648195D+01 -0.774852D+01
      2  -0.102741D+02 -0.642798D+01  0.137763D+02 -0.469014D+01  0.163941D+01
      3  -0.528703D+01  0.101802D+00  0.236565D+01  0.475244D+01  0.581654D+01
                51            52            53            54            55 
      1  -0.104082D+02 -0.150576D+00 -0.398825D+01  0.298884D+01  0.120834D+01
      2   0.646570D-03  0.612455D+01  0.295235D+00  0.252112D+01 -0.218706D+01
      3   0.436272D+01  0.219136D+01  0.358564D+01  0.474370D-01 -0.133222D+02
                56            57            58            59            60 
      1   0.281824D+01 -0.344270D+01  0.746999D+00 -0.289532D+01 -0.304994D+01
      2   0.260311D+00  0.258182D+01 -0.745535D+00 -0.276034D+00 -0.147256D+01
      3  -0.720744D+01 -0.554995D+00  0.465982D+01 -0.515313D+00  0.443799D+00
                61            62            63            64            65 
      1  -0.248939D+01  0.710845D+01  0.974697D+01 -0.651669D+00 -0.288125D+01
      2  -0.212644D+01 -0.302481D+00  0.995001D+00 -0.172430D+01  0.234108D+01
      3  -0.213100D+01 -0.209315D+01  0.389478D+01  0.277181D+01 -0.804318D+01
                66            67            68            69            70 
      1   0.109647D+01  0.729919D+00  0.264980D+01 -0.315596D+01 -0.408929D+00
      2   0.924733D+01  0.963559D+00 -0.507188D+01 -0.328672D+01  0.156877D+01
      3  -0.759215D+00  0.417457D+00  0.606261D+01  0.392763D+01  0.387957D+01
                71            72            73            74            75 
      1   0.490386D+01 -0.228237D+01  0.601580D+00 -0.374644D+00  0.301976D+00
      2  -0.341912D+01 -0.138318D+02  0.731626D+00 -0.708995D+00 -0.280798D+00
      3   0.713879D+01  0.360343D+01 -0.176722D+00 -0.152527D+00 -0.476302D+00
                76            77            78            79            80 
      1  -0.533292D+00  0.775513D+00 -0.102902D-01  0.450132D+00  0.360010D+01
      2  -0.112099D+01  0.165049D+00 -0.360181D+00 -0.418873D+01 -0.253997D-01
      3   0.161031D+01 -0.111258D+00 -0.284145D+00  0.515283D+00 -0.209281D+00
                81            82            83            84            85 
      1   0.189603D+01 -0.125719D+01 -0.327987D-01 -0.658083D+00 -0.219726D+00
      2   0.574857D+00 -0.176539D+01 -0.321128D+00  0.116462D+00 -0.533640D+00
      3  -0.163404D+00  0.397742D+01  0.170667D+01  0.124236D+01  0.571948D+01
                86            87            88            89            90 
      1   0.161341D+00 -0.395981D+01 -0.887798D-01  0.285440D+00 -0.442595D+00
      2  -0.164804D+01 -0.132206D+01 -0.207866D+01 -0.175754D+01 -0.519753D+00
      3   0.923025D+01  0.203010D+01  0.207508D+01  0.199784D+01  0.195230D+01
                91            92            93            94            95 
      1   0.327489D+01  0.195523D+01 -0.169244D+01  0.182960D+01  0.167154D+01
      2  -0.539297D+01 -0.290145D+01  0.340784D+01 -0.228983D+01 -0.168522D+01
      3   0.211093D+01 -0.295496D+01 -0.574847D+00  0.268426D+00 -0.164854D+01
                96            97            98            99           100 
      1  -0.815428D+00 -0.180202D+01 -0.714436D+00  0.116456D+01 -0.164530D+01
      2   0.138751D+01  0.283795D+01  0.154987D+01 -0.228144D+01  0.507896D+00
      3   0.234856D+00 -0.175730D+00  0.150979D+01 -0.244987D+00 -0.236933D+01
               101           102           103           104           105 
      1  -0.193831D+00  0.462034D+01 -0.131835D+00 -0.179980D+01 -0.501434D+01
      2   0.371580D+00  0.799166D-01  0.300615D+00  0.845902D-01  0.492000D-01
      3  -0.759154D+00  0.151088D+01  0.689359D+00 -0.823863D+00 -0.126527D+00
               106           107           108           109           110 
      1   0.268496D+01 -0.292105D+01 -0.117882D+02 -0.618964D+00 -0.164722D+01
      2  -0.210671D+01  0.238989D+00 -0.107686D+01  0.244875D+01  0.432006D+00
      3   0.460037D+01 -0.285878D+00 -0.316794D+01  0.166696D+02  0.158402D+01
               111           112           113           114           115 
      1  -0.240351D+01 -0.148026D+01 -0.731082D+00 -0.148070D+01 -0.485897D+00
      2   0.185733D+01  0.639602D+00  0.399837D+00  0.108231D+01 -0.868649D+00
      3  -0.351365D+00  0.459788D+01  0.203978D+01  0.946905D+00 -0.145033D+01
               116           117           118           119           120 
      1   0.200547D+00 -0.503238D+00  0.219102D+01  0.303268D+01  0.133267D+01
      2   0.440287D+00  0.889420D-01  0.213133D+00 -0.593027D+00  0.272131D+00
      3   0.772566D+00  0.125305D+00 -0.866890D+00 -0.293901D+01 -0.126002D+01
               121           122           123           124           125 
      1   0.260077D+01  0.138588D+02  0.290971D+01  0.169225D+01  0.506914D+01
      2  -0.236775D+01  0.241922D+00  0.307364D+01 -0.233413D+01  0.922436D+00
      3   0.112687D+00 -0.848199D+01 -0.243336D+01 -0.741448D+00 -0.181541D+01
               126           127           128           129           130 
      1   0.367574D+01 -0.331549D+00 -0.238804D+01 -0.126964D+01 -0.972099D+00
      2   0.134086D+01  0.166910D+02  0.319724D+01 -0.584260D+01  0.277403D+01
      3  -0.247769D+01  0.594167D+01  0.129496D+00 -0.195835D+01  0.246490D+01
               131           132           133           134           135 
      1  -0.427205D-01  0.480237D+00 -0.440076D+00  0.254444D+01  0.517359D+00
      2   0.246674D+01 -0.186363D+01 -0.764975D+01 -0.212036D+01  0.603738D+01
      3   0.859120D+00 -0.167475D+01 -0.170091D+01 -0.563038D+00  0.222648D+01
               136           137           138           139           140 
      1  -0.276002D+01  0.464140D+01  0.310481D+00  0.371772D+01 -0.480747D+01
      2  -0.423561D+01  0.276664D+01  0.786367D+00  0.397577D+01 -0.145265D+01
      3  -0.187060D+00 -0.316533D+01  0.163432D+00  0.202198D+00  0.338757D+01
               141           142           143           144           145 
      1   0.662643D+00 -0.725362D+00  0.293576D+01 -0.726609D+00 -0.197347D+00
      2  -0.154786D+01 -0.279508D+01  0.396116D-01  0.463439D+00 -0.256904D+01
      3  -0.215339D+01 -0.539561D+00 -0.195704D+01  0.900851D+00  0.811603D+00
               146           147           148           149           150 
      1  -0.170689D+00 -0.446009D-01 -0.558499D+00 -0.412947D+00 -0.177757D+00
      2  -0.135391D+00  0.360753D+00 -0.346076D+00 -0.141789D+01 -0.933600D+00
      3  -0.138684D+01  0.328187D+00 -0.944188D+00 -0.668068D+00  0.218256D+01
               151           152           153           154           155 
      1   0.462544D+00  0.380904D+01 -0.291932D+01 -0.117160D+01 -0.181302D+01
      2  -0.484646D+00 -0.774840D+00 -0.245338D+02  0.297234D+01  0.169752D+01
      3   0.495322D+00  0.304245D+01  0.446436D+00 -0.477128D+01 -0.705638D+01
               156           157           158           159           160 
      1  -0.887405D+00 -0.189859D+01 -0.420287D+01 -0.258089D+01 -0.326525D+00
      2   0.255088D+01  0.159121D+01  0.440171D+01  0.446582D+01  0.121425D+01
      3  -0.455933D+00 -0.482290D+01 -0.190205D+02 -0.232527D+01 -0.619068D+00
               161           162           163           164           165 
      1   0.226979D+00 -0.100334D+01  0.277405D+01 -0.204039D+01  0.158131D+01
      2   0.258837D+01  0.552481D+00  0.691099D+01 -0.375985D+01  0.528139D+01
      3  -0.428293D+01 -0.239002D+01  0.506547D+01 -0.856987D+01  0.774560D+00
               166           167           168           169           170 
      1  -0.227325D+01  0.232389D+01 -0.284910D+01  0.795684D+00 -0.403212D+00
      2  -0.398099D+01  0.458800D+01 -0.473986D+01  0.348085D+01 -0.273223D+01
      3  -0.593477D+01  0.825408D+01 -0.201987D+01  0.950729D+00 -0.353840D+01
               171 
      1   0.903575D+00
      2   0.148478D+01
      3   0.179858D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.878507D+00  0.130651D+02 -0.183646D+02  0.148237D+02 -0.286964D+02
      2  -0.634891D+01 -0.440156D+01  0.843703D+01 -0.505043D+01  0.867078D+01
      3   0.722742D+01 -0.866352D+01  0.992754D+01 -0.977323D+01  0.200257D+02
      4   0.163440D+02 -0.251382D+02  0.299458D+01 -0.332203D+02 -0.106533D+02
      5  -0.192311D+02 -0.671171D+00  0.641405D+01 -0.163985D+01 -0.815044D+01
      6   0.553506D+00  0.313947D+01 -0.877609D+00  0.267878D+01  0.404508D+01
                 6             7             8             9            10 
      1  -0.253831D+00 -0.230107D+02  0.246311D+01  0.137422D+02 -0.985527D+01
      2   0.148316D+01  0.744023D+01  0.330483D+00  0.888987D+01  0.579586D+00
      3  -0.122933D+01  0.155705D+02 -0.279359D+01 -0.226320D+02  0.927568D+01
      4  -0.104066D+02  0.510025D+01 -0.134830D+02  0.236838D+01 -0.569716D+01
      5   0.146625D+01  0.269594D+01  0.163837D+01  0.316653D+02  0.156997D+02
      6   0.165555D+01  0.344749D+00  0.192999D+01 -0.755417D+01 -0.471882D+01
                11            12            13            14            15 
      1  -0.281528D+01  0.139662D+02 -0.367733D+01  0.200504D+02  0.388983D+01
      2   0.301920D-01 -0.960506D+01  0.573465D+00 -0.238298D+02 -0.598952D+01
      3   0.278509D+01 -0.436116D+01  0.310386D+01  0.377937D+01  0.209970D+01
      4   0.905405D+01 -0.267295D+01  0.181297D+02  0.315110D+01  0.488999D+01
      5   0.347428D+00 -0.255155D+01  0.577845D+00  0.503327D+01 -0.427677D+00
      6  -0.351576D+00  0.332883D+00  0.228000D+00 -0.915184D+01  0.319091D+01
                16            17            18            19            20 
      1   0.179089D+02  0.122404D+01  0.265323D+01 -0.513060D+01 -0.372870D+00
      2  -0.901811D+01 -0.419296D+01 -0.153235D+01  0.852917D+01 -0.423657D+01
      3  -0.889081D+01  0.296892D+01 -0.112088D+01 -0.339856D+01  0.460944D+01
      4  -0.440881D+01  0.575196D+01  0.119657D+01 -0.111319D+01 -0.152032D+01
      5  -0.174607D+01  0.139954D+01 -0.126609D+02 -0.460272D+01 -0.938181D+00
      6  -0.276760D+00 -0.262168D+01  0.453740D+01  0.674901D+00  0.861303D+00
                21            22            23            24            25 
      1  -0.228968D+01  0.437172D+01  0.337167D+00  0.139559D+01 -0.773900D+01
      2   0.431309D+01 -0.532405D+01 -0.146033D+01  0.341936D+01  0.447160D+01
      3  -0.202341D+01  0.952329D+00  0.112317D+01 -0.481496D+01  0.326740D+01
      4   0.825563D+00 -0.112641D+02  0.426539D+01 -0.186803D+01  0.311811D+01
      5   0.151937D+01  0.833515D+00  0.822327D+00  0.471603D+01  0.235349D+01
      6  -0.438231D+00 -0.252738D+01  0.417242D+01 -0.696886D+01 -0.855510D+00
                26            27            28            29            30 
      1   0.770743D+01  0.860669D+01 -0.746586D+01  0.943724D+01 -0.615647D+00
      2  -0.452624D+01  0.176581D+02  0.336552D+01 -0.712440D+01 -0.339679D+01
      3  -0.318119D+01 -0.262648D+02  0.410034D+01 -0.231284D+01  0.401244D+01
      4   0.100377D+00 -0.154949D+01  0.798090D+01 -0.783643D+01 -0.754784D+01
      5  -0.526204D+00 -0.329145D-02  0.751955D+01 -0.713422D+01 -0.115071D+02
      6   0.513944D+01 -0.149794D+01 -0.510099D+01  0.185451D+01 -0.250049D+01
                31            32            33            34            35 
      1   0.111683D+02  0.222997D+01 -0.426887D+01  0.126618D+02 -0.371713D+01
      2  -0.640442D+01 -0.478780D+01  0.794198D+01 -0.736463D+01 -0.224160D+01
      3  -0.476386D+01  0.255783D+01 -0.367311D+01 -0.529712D+01  0.595874D+01
      4  -0.517080D+01 -0.258373D+01  0.161135D+00 -0.113131D+02  0.720921D+01
      5  -0.146621D+02  0.107316D+01 -0.237562D+01 -0.988930D+01  0.149661D+01
      6  -0.245012D+01 -0.562958D+01 -0.162774D+01 -0.120748D+01 -0.128920D+01
                36            37            38            39            40 
      1  -0.710442D+01 -0.144034D+02 -0.669009D+01  0.761449D+01 -0.541957D+01
      2   0.502146D+01  0.224129D+01  0.284118D+01 -0.460538D+01  0.236078D+01
      3   0.208296D+01  0.121621D+02  0.384891D+01 -0.300911D+01  0.305880D+01
      4   0.387122D+01 -0.125754D+02 -0.262294D+01  0.595180D+01  0.590109D+01
      5   0.149187D+02  0.756474D+01  0.344807D+01  0.747413D+01  0.731741D+01
      6  -0.527001D+01  0.529462D+01  0.201609D+01  0.145468D+01  0.548546D+01
                41            42            43            44            45 
      1  -0.142271D+02 -0.908061D+00  0.121861D+02  0.131078D+01 -0.424572D+01
      2   0.198021D+02  0.402871D+00 -0.507368D+01  0.214283D+01 -0.372806D+01
      3  -0.557502D+01  0.505189D+00 -0.711241D+01 -0.345360D+01  0.797378D+01
      4   0.150229D+02  0.721003D+01  0.131946D+02  0.106275D+02  0.529558D+01
      5   0.730161D+01  0.716410D+01  0.115793D+02  0.815643D+01  0.145189D+02
      6   0.834346D+01  0.921694D+01  0.330154D+01  0.989163D+01  0.877922D+01
                46            47            48            49            50 
      1   0.126738D+02  0.686790D+01 -0.112552D+02  0.568596D+01 -0.414648D+01
      2  -0.987816D+00  0.106242D+00  0.316349D+01  0.307002D+00  0.101857D+02
      3  -0.116860D+02 -0.697414D+01  0.809173D+01 -0.599296D+01 -0.603924D+01
      4   0.631812D+01 -0.149021D+02  0.908965D+01 -0.164338D+02 -0.192233D+01
      5  -0.590021D+01  0.107052D+02 -0.124287D+02  0.886541D+01 -0.197093D+02
      6   0.166371D+02 -0.118731D+02 -0.101606D+00 -0.131936D+02 -0.499993D+01
                51            52            53            54            55 
      1   0.873657D+00 -0.103955D+02 -0.659548D+00 -0.757386D+01  0.147058D+01
      2   0.343958D+01  0.240779D+01  0.283978D+01 -0.599259D+01 -0.315602D+01
      3  -0.431323D+01  0.798770D+01 -0.218023D+01  0.135665D+02  0.168544D+01
      4  -0.122550D+02  0.712124D+01 -0.875415D+01 -0.133977D+00 -0.183374D+02
      5   0.118888D+01 -0.125212D+02 -0.814803D+00  0.107588D+02  0.582643D+01
      6  -0.148921D+02 -0.344196D+00 -0.111478D+02 -0.763842D+00 -0.168333D+01
                56            57            58            59            60 
      1  -0.234333D+01  0.260722D+01 -0.337516D+01 -0.225235D+02  0.304479D+01
      2  -0.812755D+00 -0.255075D+01  0.129302D+01  0.343683D+02 -0.569015D+01
      3   0.315609D+01 -0.564696D-01  0.208214D+01 -0.118448D+02  0.264536D+01
      4  -0.141806D+00 -0.278728D+01  0.276655D+01 -0.404185D+01  0.250908D+00
      5  -0.178903D+01  0.444991D+01 -0.401586D+00 -0.546797D+00 -0.319699D+01
      6  -0.222209D+01  0.514583D+01  0.455824D+00 -0.679952D+01  0.638993D+01
                61            62            63            64            65 
      1   0.130579D+01  0.464859D+01 -0.119014D+01  0.344517D+02 -0.943878D+01
      2  -0.410947D+01 -0.949371D+00 -0.611123D+01 -0.187519D+02  0.400114D+01
      3   0.280368D+01 -0.369922D+01  0.730137D+01 -0.156999D+02  0.543763D+01
      4  -0.220112D+01 -0.104287D+01  0.337265D+01 -0.146832D+02  0.166705D+02
      5   0.337515D+01 -0.161305D+00  0.161984D+01 -0.171540D+02  0.766372D+01
      6   0.311801D+01  0.156913D+01 -0.173315D+02  0.254781D+01 -0.293757D+01
                66            67            68            69            70 
      1  -0.908055D+01 -0.116628D+02  0.178619D+01  0.112855D+01 -0.135051D+02
      2   0.936471D+01  0.462254D+01  0.449422D+01 -0.200845D+01  0.948024D+01
      3  -0.284163D+00  0.704024D+01 -0.628041D+01  0.879894D+00  0.402488D+01
      4   0.764302D+01  0.162624D+02 -0.161313D+02 -0.935598D+01  0.607308D+01
      5   0.192020D+02  0.697571D+01 -0.966086D+01 -0.669996D+01  0.212377D+02
      6  -0.174290D+01 -0.427234D+01  0.308178D+01  0.740079D+01 -0.335232D+01
                71            72            73            74            75 
      1   0.470578D+00  0.233910D+01  0.108845D+01  0.165183D+00  0.163236D-01
      2  -0.478395D+00 -0.144685D+02 -0.519670D+01  0.620270D+00 -0.780148D-01
      3   0.781747D-02  0.121294D+02  0.410824D+01 -0.785453D+00  0.616912D-01
      4  -0.126305D+02 -0.107478D+02 -0.254627D+00  0.164589D+01 -0.370277D+00
      5  -0.912264D+01 -0.291958D+02  0.124859D+00  0.415345D+00  0.643099D+01
      6   0.700947D+01  0.401770D+01 -0.159516D+00  0.373009D+00 -0.398104D+00
                76            77            78            79            80 
      1   0.826217D+00 -0.367790D+01 -0.991926D+00  0.921562D+00 -0.327218D-01
      2   0.320032D+00 -0.878131D+00 -0.278165D+01  0.966590D-01 -0.438404D+01
      3  -0.114625D+01  0.455603D+01  0.377357D+01 -0.101822D+01  0.441677D+01
      4   0.238300D+01 -0.226538D+00  0.487739D+00 -0.993671D-02  0.103372D+00
      5   0.448919D+00 -0.289909D-01 -0.569828D+00  0.538082D+01  0.925727D-01
      6   0.765709D+00  0.423258D+00  0.731902D+01  0.639291D+00  0.493190D+01
                81            82            83            84            85 
      1  -0.199869D+02 -0.777079D+00 -0.379814D+01 -0.267132D+01 -0.540554D+01
      2  -0.198516D+02  0.444825D+01  0.510074D+01  0.239048D+01  0.584238D+01
      3   0.398385D+02 -0.367117D+01 -0.130260D+01  0.280847D+00 -0.436836D+00
      4   0.104205D+01  0.117627D+01  0.415135D+01  0.103334D+01  0.257715D+01
      5   0.790589D+00 -0.146833D+01  0.832376D+00  0.121188D+01  0.110537D+01
      6  -0.136889D+01  0.200232D+01  0.186951D+01  0.852365D+00  0.136169D+01
                86            87            88            89            90 
      1  -0.202618D+02 -0.280576D+01 -0.406852D+01 -0.423974D+01 -0.517408D+01
      2   0.321557D+02  0.580242D+01  0.267779D+01  0.457775D+01  0.327529D+01
      3  -0.118939D+02 -0.299666D+01  0.139073D+01 -0.338005D+00  0.189879D+01
      4  -0.968795D+01 -0.205941D+01  0.463390D+00 -0.222852D+01 -0.165772D+01
      5  -0.222763D+01 -0.318291D+01  0.236876D+01 -0.217492D+01 -0.563286D-01
      6   0.853989D+01  0.690144D+01  0.158283D+01  0.913462D+01  0.448291D+01
                91            92            93            94            95 
      1   0.340068D+02  0.130738D+02 -0.217727D+01  0.570245D+01  0.455917D+01
      2  -0.117067D+02 -0.224099D+01  0.515469D-01  0.967216D+00  0.222790D+01
      3  -0.223001D+02 -0.108328D+02  0.212573D+01 -0.666966D+01 -0.678707D+01
      4   0.254086D+02  0.166306D+02 -0.811002D+00  0.120924D+02  0.111548D+02
      5   0.267726D+01  0.152905D+01  0.465281D+01  0.522295D+00  0.659706D+00
      6  -0.943955D+00  0.253051D+00  0.208255D+01  0.335900D+00  0.212617D+00
                96            97            98            99           100 
      1  -0.435011D+00 -0.103642D+02 -0.451693D+01  0.324137D+01  0.645361D-02
      2  -0.315687D+00  0.311616D+01  0.296361D+00 -0.128634D+01  0.242891D+00
      3   0.750698D+00  0.724800D+01  0.422057D+01 -0.195503D+01 -0.249345D+00
      4  -0.590484D+00 -0.905907D+01 -0.639905D+01  0.392968D+01 -0.151880D+01
      5   0.177449D+01  0.496834D+01  0.249299D+01 -0.188549D+01 -0.925195D+00
      6   0.166820D+01  0.312990D+01  0.223031D+01 -0.153118D+01  0.239267D+01
               101           102           103           104           105 
      1   0.324364D+01 -0.325975D+00  0.109116D+01 -0.403655D+01 -0.251286D+01
      2  -0.476833D+01 -0.879697D+00 -0.147787D+01  0.593700D+01  0.337876D+01
      3   0.152470D+01  0.120567D+01  0.386709D+00 -0.190045D+01 -0.865897D+00
      4   0.230452D+01  0.168816D+01  0.270236D+01 -0.123356D+01 -0.587233D+00
      5   0.247014D+00  0.670570D+00  0.393186D+00 -0.559050D+00  0.310159D+00
      6   0.579920D+00 -0.669291D+01 -0.535083D+00  0.322541D+01  0.945844D+01
               106           107           108           109           110 
      1   0.867673D+00 -0.662034D+01 -0.771971D+01  0.575591D+01 -0.221396D+01
      2  -0.942102D-01  0.800415D+01  0.523692D+01  0.380662D+01  0.852934D+01
      3  -0.773463D+00 -0.138381D+01  0.248279D+01 -0.956253D+01 -0.631538D+01
      4   0.397989D+01 -0.746436D+00 -0.362075D+01  0.210451D+02  0.131085D+02
      5   0.133629D+01 -0.578158D+00 -0.462105D+00 -0.417380D+01 -0.764933D+00
      6  -0.461250D+01  0.999106D+01  0.164519D+02 -0.189203D+01 -0.270378D+00
               111           112           113           114           115 
      1  -0.127969D+01  0.783515D+00 -0.956044D+00  0.338544D+00 -0.197330D+01
      2   0.134674D+01  0.374275D+01  0.581266D+01 -0.350522D+00  0.259712D+01
      3  -0.670564D-01 -0.452627D+01 -0.485662D+01  0.119779D-01 -0.623824D+00
      4  -0.857664D+00  0.120233D+02  0.725046D+01  0.168126D+01 -0.130696D+01
      5   0.246240D+01 -0.303421D+00 -0.809528D-01  0.138145D+01  0.322290D+01
      6   0.285981D+01  0.115361D+01 -0.358902D+00  0.306294D+01  0.802385D+00
               116           117           118           119           120 
      1   0.506987D+00 -0.850773D+00  0.221168D+01  0.230629D+01  0.186448D+01
      2   0.345570D+00  0.610525D+00 -0.321969D+01 -0.279711D+01 -0.320984D+01
      3  -0.852557D+00  0.240248D+00  0.100801D+01  0.490823D+00  0.134536D+01
      4   0.148416D+01  0.117270D+01  0.367197D+01  0.707126D+01  0.147460D+01
      5   0.556640D+00 -0.854848D+00  0.616916D+01  0.423614D+01  0.774194D+01
      6   0.356407D+01 -0.574685D+00  0.208210D+01  0.562621D+01  0.219758D+01
               121           122           123           124           125 
      1   0.364187D+01 -0.301673D+01 -0.472370D+01  0.943562D+00 -0.290137D+01
      2  -0.417797D+01 -0.411154D+00 -0.667288D+01 -0.220135D+01 -0.391874D+01
      3   0.536104D+00  0.342789D+01  0.113966D+02  0.125778D+01  0.682011D+01
      4   0.677889D+01  0.137077D+02  0.678403D+01  0.828462D+00  0.478044D+01
      5   0.720770D+01  0.108945D+02  0.104090D+02  0.602425D+01  0.596000D+01
      6   0.588446D+01  0.187576D+02  0.104941D+02  0.240738D+01  0.101053D+02
               126           127           128           129           130 
      1  -0.430058D+01 -0.936605D+01 -0.561137D+01  0.129188D+02 -0.439590D+01
      2  -0.420487D+01  0.340670D+00  0.235252D+01  0.262328D+01  0.229464D+01
      3   0.850545D+01  0.902538D+01  0.325885D+01 -0.155421D+02  0.210127D+01
      4   0.430747D+01  0.592447D+01  0.361206D+01 -0.358473D+01  0.434059D+01
      5   0.652975D+01 -0.135586D+02 -0.389042D+01  0.607302D+01 -0.373192D+01
      6   0.688053D+01 -0.735698D+01 -0.568048D+01  0.722835D+01 -0.368344D+01
               131           132           133           134           135 
      1  -0.452756D+01  0.404847D+01  0.964273D+01  0.371285D+01 -0.114466D+02
      2   0.201745D+01 -0.114908D+01  0.188883D+01 -0.643684D+00 -0.437167D+01
      3   0.251012D+01 -0.289939D+01 -0.115316D+02 -0.306916D+01  0.158183D+02
      4   0.162482D+01  0.428294D+00 -0.252890D+01 -0.120378D+00  0.232752D+01
      5   0.411504D-01  0.893741D+00  0.787313D+01  0.165730D+01 -0.554615D+01
      6  -0.412552D+01  0.717584D+01  0.482312D+01  0.621041D+01 -0.622754D+01
               136           137           138           139           140 
      1   0.117084D+02 -0.438598D+01  0.238264D+01 -0.481138D+01 -0.219894D+01
      2  -0.766266D+01  0.386351D+00 -0.595722D+01  0.316693D+00  0.567519D+01
      3  -0.404576D+01  0.399963D+01  0.357458D+01  0.449468D+01 -0.347626D+01
      4  -0.159881D+02  0.146332D+02 -0.884441D+01  0.154057D+02 -0.163441D+02
      5   0.201078D+02 -0.123375D+02  0.168925D+02 -0.131896D+02  0.138925D+02
      6  -0.118571D+02  0.117441D+02 -0.895628D+01  0.113969D+02 -0.156714D+02
               141           142           143           144           145 
      1   0.336683D+01  0.153574D+01  0.248463D+01 -0.220466D+01  0.874129D+00
      2   0.100226D+01 -0.449696D+01  0.104746D+01 -0.447809D+01 -0.284211D+01
      3  -0.436909D+01  0.296122D+01 -0.353209D+01  0.668274D+01  0.196798D+01
      4   0.985668D+01 -0.552439D+01  0.625908D+01 -0.757341D+01 -0.145999D+01
      5  -0.117354D+02  0.124864D+02 -0.821872D+01  0.121246D+02 -0.381497D+01
      6   0.137052D+02 -0.668702D+01  0.103181D+02 -0.994109D+01  0.919055D+00
               146           147           148           149           150 
      1  -0.154011D+01 -0.507336D+01 -0.193361D+01  0.754804D+00 -0.137893D+01
      2   0.564832D+00  0.288760D+01  0.559731D+00 -0.118790D+01  0.601157D+00
      3   0.975273D+00  0.218576D+01  0.137388D+01  0.433095D+00  0.777775D+00
      4   0.307124D+01  0.384058D+00  0.552595D+01 -0.148112D+00 -0.427772D+01
      5   0.250791D+00  0.663615D+01  0.723159D+00 -0.406289D+01 -0.143288D+01
      6  -0.522880D-01  0.460561D+00 -0.134807D+01  0.139327D+01  0.672427D+01
               151           152           153           154           155 
      1  -0.744478D+01 -0.112597D+01 -0.135744D+02  0.165738D+02  0.968151D+01
      2   0.839832D+01  0.281271D+00 -0.204515D+02 -0.555829D+01 -0.313535D+01
      3  -0.953542D+00  0.844701D+00  0.340259D+02 -0.110155D+02 -0.654616D+01
      4   0.103656D+01 -0.532988D+01 -0.249593D+01  0.105733D+02  0.159434D+02
      5   0.154671D+02 -0.188667D+01 -0.467800D+02  0.146549D+01  0.248071D+00
      6  -0.190832D+01  0.676154D+01  0.836449D+01 -0.117213D+01 -0.240989D+01
               156           157           158           159           160 
      1   0.308441D+01  0.176508D+02  0.119485D+02  0.446674D+00  0.848051D+01
      2  -0.105316D+01 -0.727241D+01  0.265488D+01  0.119278D+01 -0.359661D+01
      3  -0.203125D+01 -0.103784D+02 -0.146034D+02 -0.163945D+01 -0.488391D+01
      4   0.115178D+01  0.193560D+02  0.307674D+02  0.329380D+01  0.272892D+01
      5   0.325695D+01 -0.162117D+01  0.316370D+01  0.773899D+01  0.397069D+01
      6   0.519014D+00 -0.180039D+01 -0.511725D+01  0.186614D+01  0.983061D+00
               161           162           163           164           165 
      1   0.198961D+01  0.700482D+00  0.444779D+02 -0.188424D+02  0.542232D+01
      2   0.107248D+00 -0.188220D+01 -0.168347D+02  0.509013D+01 -0.161386D+01
      3  -0.209685D+01  0.118172D+01 -0.276432D+02  0.137523D+02 -0.380846D+01
      4   0.674568D+01  0.467961D+01 -0.269737D+02  0.220018D+02 -0.282920D+01
      5   0.522908D+01  0.359390D+00  0.123159D+01 -0.466477D+00  0.721342D+01
      6   0.177064D+01  0.124586D+01  0.178077D+01 -0.251981D+01 -0.142549D+01
               166           167           168           169           170 
      1  -0.249585D+02  0.147786D+02 -0.154145D+01  0.136749D+02 -0.399230D+01
      2   0.629515D+01  0.220180D+01 -0.113146D+01 -0.499156D+01  0.746690D-01
      3   0.186633D+02 -0.169804D+02  0.267290D+01 -0.868335D+01  0.391763D+01
      4   0.279112D+02 -0.241306D+02  0.391432D+01 -0.729223D+01  0.767300D+01
      5   0.579157D+00  0.214502D+01 -0.742183D+01  0.788338D+01 -0.535494D+01
      6  -0.237825D+01  0.159030D+01  0.307367D+01 -0.204697D+01  0.223763D+01
               171 
      1   0.354564D+01
      2  -0.287634D+01
      3  -0.669296D+00
      4  -0.578433D+01
      5   0.171682D+01
      6  -0.768005D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 21:28:41 2021, MaxMem=  5368709120 cpu:           12360.9 elap:            1549.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.53136 -19.47783 -14.60489 -10.58379 -10.48296
 Alpha  occ. eigenvalues --  -10.45317 -10.43612 -10.43031  -1.26464  -1.16487
 Alpha  occ. eigenvalues --   -1.04128  -0.94177  -0.85789  -0.83124  -0.74624
 Alpha  occ. eigenvalues --   -0.70033  -0.65535  -0.62648  -0.60973  -0.58583
 Alpha  occ. eigenvalues --   -0.56931  -0.55918  -0.53205  -0.52862  -0.50214
 Alpha  occ. eigenvalues --   -0.49301  -0.46588  -0.45816  -0.44798  -0.44044
 Alpha  occ. eigenvalues --   -0.40085  -0.35270
 Alpha virt. eigenvalues --   -0.01316  -0.00548   0.00106   0.00304   0.01658
 Alpha virt. eigenvalues --    0.02191   0.02578   0.02793   0.03057   0.04550
 Alpha virt. eigenvalues --    0.05542   0.06489   0.07416   0.08178   0.08551
 Alpha virt. eigenvalues --    0.09216   0.09444   0.10869   0.11253   0.11594
 Alpha virt. eigenvalues --    0.12264   0.12556   0.12901   0.13436   0.13966
 Alpha virt. eigenvalues --    0.15008   0.15343   0.15594   0.16221   0.17031
 Alpha virt. eigenvalues --    0.18032   0.18820   0.19253   0.20347   0.21277
 Alpha virt. eigenvalues --    0.22386   0.22858   0.23509   0.24199   0.25327
 Alpha virt. eigenvalues --    0.26616   0.26959   0.27945   0.28257   0.29253
 Alpha virt. eigenvalues --    0.29632   0.30209   0.30645   0.31172   0.31911
 Alpha virt. eigenvalues --    0.32802   0.33193   0.34085   0.35794   0.36159
 Alpha virt. eigenvalues --    0.37361   0.38792   0.38911   0.39146   0.40218
 Alpha virt. eigenvalues --    0.40321   0.41057   0.41812   0.42533   0.42888
 Alpha virt. eigenvalues --    0.43591   0.43977   0.45267   0.45870   0.47078
 Alpha virt. eigenvalues --    0.48317   0.49019   0.49271   0.50626   0.51019
 Alpha virt. eigenvalues --    0.51422   0.51762   0.52211   0.52921   0.54119
 Alpha virt. eigenvalues --    0.54637   0.55020   0.55876   0.56575   0.57349
 Alpha virt. eigenvalues --    0.58095   0.59543   0.60203   0.61032   0.61281
 Alpha virt. eigenvalues --    0.62686   0.64011   0.64392   0.64695   0.66723
 Alpha virt. eigenvalues --    0.66965   0.67874   0.68013   0.69183   0.70179
 Alpha virt. eigenvalues --    0.70975   0.71050   0.72888   0.73386   0.74105
 Alpha virt. eigenvalues --    0.75350   0.76635   0.77612   0.78303   0.79182
 Alpha virt. eigenvalues --    0.80875   0.82107   0.82532   0.83243   0.83860
 Alpha virt. eigenvalues --    0.85302   0.85875   0.87136   0.88467   0.90022
 Alpha virt. eigenvalues --    0.91720   0.92497   0.95184   0.96054   0.96982
 Alpha virt. eigenvalues --    0.98260   0.98826   1.01440   1.01889   1.02767
 Alpha virt. eigenvalues --    1.05318   1.06615   1.08450   1.10067   1.11761
 Alpha virt. eigenvalues --    1.12946   1.13727   1.16087   1.16638   1.18544
 Alpha virt. eigenvalues --    1.19524   1.20623   1.22873   1.23700   1.25596
 Alpha virt. eigenvalues --    1.27511   1.30419   1.31188   1.33332   1.35011
 Alpha virt. eigenvalues --    1.38997   1.40147   1.41553   1.44377   1.45518
 Alpha virt. eigenvalues --    1.46871   1.47581   1.51153   1.53792   1.54572
 Alpha virt. eigenvalues --    1.57243   1.60251   1.60723   1.63970   1.65456
 Alpha virt. eigenvalues --    1.68264   1.68500   1.71373   1.71692   1.75205
 Alpha virt. eigenvalues --    1.77095   1.78350   1.81327   1.83465   1.84877
 Alpha virt. eigenvalues --    1.86137   1.87908   1.89161   1.89444   1.90541
 Alpha virt. eigenvalues --    1.92505   1.94185   1.94715   1.96097   1.97005
 Alpha virt. eigenvalues --    1.99060   2.00292   2.01912   2.05460   2.08287
 Alpha virt. eigenvalues --    2.08671   2.10217   2.12490   2.13895   2.14928
 Alpha virt. eigenvalues --    2.17440   2.18623   2.19361   2.21055   2.23455
 Alpha virt. eigenvalues --    2.24114   2.26121   2.26357   2.27236   2.29002
 Alpha virt. eigenvalues --    2.32823   2.33944   2.36076   2.37834   2.39046
 Alpha virt. eigenvalues --    2.40289   2.41114   2.44461   2.45123   2.47785
 Alpha virt. eigenvalues --    2.52599   2.55691   2.57238   2.59071   2.59725
 Alpha virt. eigenvalues --    2.61837   2.64801   2.67169   2.72137   2.72566
 Alpha virt. eigenvalues --    2.77002   2.80445   2.82065   2.83696   2.86239
 Alpha virt. eigenvalues --    2.91686   2.94937   2.97853   3.01590   3.06588
 Alpha virt. eigenvalues --    3.15780   3.17849   3.29882   3.40498   3.45475
 Alpha virt. eigenvalues --    3.46766   3.48191   3.49469   3.50207   3.51449
 Alpha virt. eigenvalues --    3.57968   3.59218   3.70177   3.76105   3.88039
 Alpha virt. eigenvalues --    4.08110
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.281085  -0.602234   0.624637  -0.213133   0.010313  -0.326966
     2  C   -0.602234   9.162536  -2.444934   0.507813   0.028294   0.070396
     3  C    0.624637  -2.444934  12.900424  -3.065700  -0.140783  -0.683671
     4  C   -0.213133   0.507813  -3.065700   7.704208   0.313658   0.041670
     5  O    0.010313   0.028294  -0.140783   0.313658   7.866212   0.009042
     6  C   -0.326966   0.070396  -0.683671   0.041670   0.009042   4.905405
     7  N   -0.110302   0.396624  -0.793596   0.370012   0.025856   0.084146
     8  O    0.011892  -0.012539   0.095917   0.572955  -0.033135  -0.003656
     9  H   -0.167255   0.512388  -1.381240   0.007587  -0.046550   0.146628
    10  H    0.036156  -1.611107   0.480936  -0.078240  -0.041885   0.167173
    11  H   -0.004240  -0.005890   0.067573  -0.131354   0.311140  -0.002124
    12  H   -0.006235   0.000511  -0.013468  -0.127387  -0.004311   0.017071
    13  H    0.019424  -0.118414  -0.053878   0.018876   0.002096   0.010949
    14  H   -0.132303  -0.051278  -0.158527   0.042229  -0.010924   0.294613
    15  H   -0.119054   0.274527  -0.377565   0.086495   0.002410   0.300818
    16  H    0.121263   0.027227   0.181766  -0.028455   0.004112   0.011640
    17  H   -0.081750   0.544119  -0.214762   0.053994   0.001578  -0.012817
    18  H    0.454310  -0.485706   0.078951   0.034585   0.001555  -0.099032
    19  H    0.148791   0.184446   0.131595  -0.055139  -0.001155   0.018245
               7          8          9         10         11         12
     1  C   -0.110302   0.011892  -0.167255   0.036156  -0.004240  -0.006235
     2  C    0.396624  -0.012539   0.512388  -1.611107  -0.005890   0.000511
     3  C   -0.793596   0.095917  -1.381240   0.480936   0.067573  -0.013468
     4  C    0.370012   0.572955   0.007587  -0.078240  -0.131354  -0.127387
     5  O    0.025856  -0.033135  -0.046550  -0.041885   0.311140  -0.004311
     6  C    0.084146  -0.003656   0.146628   0.167173  -0.002124   0.017071
     7  N    6.191984  -0.023961   0.130332  -0.074444  -0.000640   0.286329
     8  O   -0.023961   7.689420  -0.040931  -0.003199  -0.033123   0.014575
     9  H    0.130332  -0.040931   2.287684  -0.016619   0.015753   0.049896
    10  H   -0.074444  -0.003199  -0.016619   2.750129   0.003251   0.000636
    11  H   -0.000640  -0.033123   0.015753   0.003251   0.566265  -0.000442
    12  H    0.286329   0.014575   0.049896   0.000636  -0.000442   0.938528
    13  H    0.276766   0.000535   0.024449  -0.013714   0.000719  -0.153012
    14  H   -0.002003  -0.000276   0.008827   0.116285   0.000374   0.010477
    15  H    0.063041  -0.010737   0.016006  -0.018496   0.003419   0.003037
    16  H   -0.022352  -0.001078   0.012210  -0.100201  -0.000285   0.002927
    17  H    0.034526  -0.000676  -0.054843  -0.089839   0.000469   0.004822
    18  H    0.018584   0.000469  -0.009248   0.162489   0.000440   0.000579
    19  H   -0.033125   0.000893   0.023387  -0.128244  -0.001038  -0.004657
              13         14         15         16         17         18
     1  C    0.019424  -0.132303  -0.119054   0.121263  -0.081750   0.454310
     2  C   -0.118414  -0.051278   0.274527   0.027227   0.544119  -0.485706
     3  C   -0.053878  -0.158527  -0.377565   0.181766  -0.214762   0.078951
     4  C    0.018876   0.042229   0.086495  -0.028455   0.053994   0.034585
     5  O    0.002096  -0.010924   0.002410   0.004112   0.001578   0.001555
     6  C    0.010949   0.294613   0.300818   0.011640  -0.012817  -0.099032
     7  N    0.276766  -0.002003   0.063041  -0.022352   0.034526   0.018584
     8  O    0.000535  -0.000276  -0.010737  -0.001078  -0.000676   0.000469
     9  H    0.024449   0.008827   0.016006   0.012210  -0.054843  -0.009248
    10  H   -0.013714   0.116285  -0.018496  -0.100201  -0.089839   0.162489
    11  H    0.000719   0.000374   0.003419  -0.000285   0.000469   0.000440
    12  H   -0.153012   0.010477   0.003037   0.002927   0.004822   0.000579
    13  H    1.071792  -0.007778   0.001810  -0.005188  -0.004662  -0.040755
    14  H   -0.007778   1.899561  -0.297523  -0.460245   0.007931  -0.034317
    15  H    0.001810  -0.297523   1.748590  -0.463162  -0.018746   0.002647
    16  H   -0.005188  -0.460245  -0.463162   1.897012   0.025004   0.000428
    17  H   -0.004662   0.007931  -0.018746   0.025004   1.777255  -0.377040
    18  H   -0.040755  -0.034317   0.002647   0.000428  -0.377040   2.056064
    19  H    0.008844  -0.016660   0.012905  -0.024279  -0.424206  -0.487738
              19
     1  C    0.148791
     2  C    0.184446
     3  C    0.131595
     4  C   -0.055139
     5  O   -0.001155
     6  C    0.018245
     7  N   -0.033125
     8  O    0.000893
     9  H    0.023387
    10  H   -0.128244
    11  H   -0.001038
    12  H   -0.004657
    13  H    0.008844
    14  H   -0.016660
    15  H    0.012905
    16  H   -0.024279
    17  H   -0.424206
    18  H   -0.487738
    19  H    1.796038
 Mulliken charges:
               1
     1  C    1.055599
     2  C   -0.376780
     3  C    0.766326
     4  C   -0.054674
     5  O   -0.297524
     6  C    1.050468
     7  N    0.182222
     8  O   -0.223347
     9  H   -0.518461
    10  H   -0.541067
    11  H    0.209732
    12  H   -0.019875
    13  H   -0.038861
    14  H   -0.208462
    15  H   -0.210423
    16  H   -0.178345
    17  H   -0.170357
    18  H   -0.277266
    19  H   -0.148904
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.459072
     2  C   -0.917847
     3  C    0.247864
     4  C   -0.054674
     5  O   -0.087792
     6  C    0.453237
     7  N    0.123486
     8  O   -0.223347
 Electronic spatial extent (au):  <R**2>=           1044.4958
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.7024    Y=             -1.7975    Z=             -0.1448  Tot=              2.4799
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -47.3911   YY=            -51.1679   ZZ=            -51.8835
   XY=              5.9698   XZ=              1.6528   YZ=              0.5642
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              2.7564   YY=             -1.0204   ZZ=             -1.7359
   XY=              5.9698   XZ=              1.6528   YZ=              0.5642
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -22.1511  YYY=             -7.0005  ZZZ=             -2.3279  XYY=             -1.9371
  XXY=            -14.7312  XXZ=             -7.1537  XZZ=              0.3165  YZZ=             -0.4166
  YYZ=              8.4831  XYZ=              1.5229
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -734.1788 YYYY=           -320.6383 ZZZZ=           -269.8154 XXXY=             54.5067
 XXXZ=             21.6294 YYYX=             28.1903 YYYZ=             20.9496 ZZZX=             -2.9901
 ZZZY=              4.8415 XXYY=           -155.5270 XXZZ=           -185.3206 YYZZ=           -101.8229
 XXYZ=             -4.7691 YYXZ=             -2.5263 ZZXY=              1.2887
 N-N= 4.086814012426D+02 E-N=-1.755828631421D+03  KE= 3.994009383623D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 21:28:41 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 6.04591913D-01-6.48839473D-01-5.52847422D-02
 Polarizability= 8.22684465D+01 7.08672778D-01 7.16520698D+01
                -2.79312531D+00 2.52988296D+00 6.99314743D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        1.2226    1.2211       -0.0777   -0.0794
 2     -1.2226   -1.2211       -0.9678   -0.9656       -5.1583   -5.1653
 3      0.0777    0.0794        6.1132    6.1262        0.9669    0.9656
 4      0.9678    0.9656        0.0000    0.0000        0.0789    0.0794
 5     -0.9549   -0.9609       -0.0789   -0.0794        1.2220    1.2211
 6     -0.9669   -0.9656       -1.2220   -1.2211       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -3.6634   -3.6634       -0.2382   -0.2382
 2      2.8968    2.8968        0.0000    0.0000       -0.2382   -0.2382
 3      2.8968    2.8968       -3.6634   -3.6634        0.0000    0.0000
 4     -3.6634   -3.6634       -2.8968   -2.8968      -15.4960  -15.4960
 5      0.2382    0.2382       18.3786   18.3786        2.8968    2.8968
 6     -2.8826   -2.8826       -0.2382   -0.2382        3.6634    3.6634
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2352    0.0000       -5.1939   -4.8846        0.2520    0.3176
 2      4.9548    4.8846        3.7532    3.8624       21.0748   20.6613
 3     -0.1815   -0.3176      -24.4361  -24.5048       -4.2102   -3.8624
 4     -3.3658   -3.8624       -0.0776    0.0000       -0.5964   -0.3176
 5      3.5762    3.8435        0.1285    0.3176       -4.8933   -4.8846
 6      4.0975    3.8624        4.9753    4.8846       -0.0402    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1353    0.0000        5.9789    5.9110       -7.0946   -7.1577
 2     -5.4235   -5.9110        4.9606    4.1821        8.4662    9.0303
 3      6.6365    7.1577       21.1291   20.6938       -4.3843   -4.1821
 4     -4.6807   -4.1821       -0.1113    0.0000        7.0733    7.1577
 5    -30.1377  -29.7241       -6.9764   -7.1577        6.0471    5.9110
 6      4.6418    4.1821       -5.8336   -5.9110        0.1479    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -7.5298   -7.7799       18.1305   18.2338        9.7738    9.8118
 2    -14.9981  -14.5691       23.2472   23.3517        9.4623    9.8118
 3    -15.1345  -14.5691       18.0271   18.2338       11.6753   12.1332
 4     -5.2862   -5.1179        7.2693    6.7892       21.7083   22.2454
 5      1.9085    2.3214       37.0534   36.2076       -7.0303   -6.7892
 6    -58.9752  -58.4530       -1.5676   -2.3214        5.4423    5.1179
 Full mass-weighted force constant matrix:
 Low frequencies ---    0.0005    0.0007    0.0008    3.6031    6.8614    7.4295
 Low frequencies ---   55.9674   84.3057  177.0238
 Diagonal vibrational polarizability:
       22.7649292      24.8036039      20.1728203
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     55.9657                84.3054               177.0235
 Red. masses --      4.2165                 3.7206                 3.2649
 Frc consts  --      0.0078                 0.0156                 0.0603
 IR Inten    --      0.9726                 0.7299                 1.1156
 RamAct Fr= 1--      0.7544                 0.4820                 0.4278
  Dep-P Fr= 1--      0.7498                 0.7499                 0.6834
  Dep-U Fr= 1--      0.8570                 0.8571                 0.8119
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0005
 Beta2  Fr= 1--      0.1077                 0.0688                 0.0579
 AlphaG Fr= 1--      0.0001                -0.0000                 0.0013
 Gamma2 Fr= 1--     -0.1547                 0.2476                 0.2086
 Delta2 Fr= 1--     -0.1800                 0.2760                 0.0922
 Raman1 Fr= 1--       3.017                  1.928                  1.711
 ROA1   Fr= 1--     -20.612                 32.601                 22.977
 CID1   Fr= 1--      -6.831                 16.910                 13.428
 Raman2 Fr= 1--       1.293                  0.826                  0.695
 ROA2   Fr= 1--      -2.273                  3.734                  4.269
 CID2   Fr= 1--      -1.758                  4.520                  6.145
 Raman3 Fr= 1--       2.586                  1.652                  1.389
 ROA3   Fr= 1--     -20.612                 32.601                 22.977
 CID3   Fr= 1--      -7.971                 19.730                 16.538
 RC180  Fr= 1--       0.714                  0.714                  0.624
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.13   0.03    -0.06  -0.15  -0.14    -0.04  -0.13   0.01
     2   6     0.00  -0.01  -0.09    -0.02   0.00   0.02    -0.10   0.04  -0.06
     3   6    -0.00   0.02  -0.02     0.00   0.05   0.08    -0.01   0.13  -0.07
     4   6     0.00   0.04   0.02    -0.02   0.01  -0.03     0.06   0.02  -0.00
     5   8     0.10  -0.13   0.24     0.13  -0.08   0.03     0.18  -0.05   0.04
     6   6    -0.09  -0.23  -0.08     0.13   0.09   0.01    -0.20   0.02  -0.05
     7   7     0.03   0.01  -0.00     0.01   0.02   0.21    -0.01   0.12  -0.01
     8   8    -0.08   0.19  -0.13    -0.17   0.06  -0.16     0.08  -0.10   0.09
     9   1    -0.05   0.03  -0.02     0.03   0.14   0.07    -0.02   0.18  -0.07
    10   1     0.06   0.02  -0.25    -0.12   0.01   0.11    -0.20   0.08  -0.07
    11   1     0.09  -0.09   0.24     0.09  -0.09  -0.07     0.26  -0.20   0.13
    12   1    -0.06   0.03  -0.04    -0.12  -0.03   0.17     0.17   0.05   0.08
    13   1     0.05  -0.03   0.09     0.03  -0.01   0.37    -0.02   0.15  -0.17
    14   1    -0.24  -0.24   0.08     0.35   0.06  -0.09     0.03  -0.05  -0.03
    15   1    -0.09  -0.41  -0.18     0.12   0.30   0.10    -0.30   0.27  -0.12
    16   1    -0.03  -0.19  -0.14     0.03  -0.03  -0.01    -0.41  -0.17   0.01
    17   1     0.09   0.35   0.02    -0.17  -0.30  -0.13     0.02  -0.23   0.01
    18   1     0.01   0.08   0.25     0.01  -0.12  -0.33     0.03  -0.14  -0.05
    19   1     0.02   0.07  -0.08    -0.06  -0.13  -0.11    -0.13  -0.18   0.13
                      4                      5                      6
                      A                      A                      A
 Frequencies --    216.1581               221.7042               246.4993
 Red. masses --      1.1650                 1.1832                 1.0428
 Frc consts  --      0.0321                 0.0343                 0.0373
 IR Inten    --     17.5011                16.6063                 4.8632
 RamAct Fr= 1--      0.1886                 0.1474                 0.0829
  Dep-P Fr= 1--      0.3288                 0.3647                 0.6774
  Dep-U Fr= 1--      0.4949                 0.5345                 0.8077
 Alpha2 Fr= 1--      0.0018                 0.0012                 0.0001
 Beta2  Fr= 1--      0.0156                 0.0131                 0.0112
 AlphaG Fr= 1--     -0.0032                 0.0013                 0.0005
 Gamma2 Fr= 1--      0.1417                 0.0260                 0.0450
 Delta2 Fr= 1--      0.0218                -0.0258                -0.0435
 Raman1 Fr= 1--       0.754                  0.590                  0.332
 ROA1   Fr= 1--      14.301                  1.665                  2.930
 CID1   Fr= 1--      18.955                  2.824                  8.839
 Raman2 Fr= 1--       0.187                  0.158                  0.134
 ROA2   Fr= 1--       3.227                  0.829                  1.428
 CID2   Fr= 1--      17.283                  5.264                 10.670
 Raman3 Fr= 1--       0.373                  0.315                  0.268
 ROA3   Fr= 1--      14.301                  1.665                  2.930
 CID3   Fr= 1--      38.298                  5.284                 10.945
 RC180  Fr= 1--      -0.010                  0.069                  0.615
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04  -0.02     0.02   0.04   0.01     0.01   0.00   0.02
     2   6    -0.01   0.00  -0.01     0.01   0.00  -0.03    -0.01   0.01   0.00
     3   6     0.00   0.01  -0.02     0.01  -0.02  -0.03    -0.01  -0.00  -0.01
     4   6     0.02  -0.00  -0.01     0.01  -0.01  -0.01    -0.00  -0.01  -0.00
     5   8     0.01  -0.00   0.00    -0.05  -0.00   0.02    -0.01  -0.01  -0.00
     6   6    -0.05   0.06  -0.01    -0.03   0.00  -0.02     0.02   0.02   0.00
     7   7     0.03  -0.00   0.02    -0.00  -0.03   0.02     0.00   0.00  -0.03
     8   8     0.04  -0.01   0.02     0.05   0.02   0.00     0.00  -0.01   0.01
     9   1    -0.00   0.01  -0.02     0.00  -0.01  -0.04    -0.01  -0.03  -0.01
    10   1    -0.02  -0.00   0.01     0.04  -0.01  -0.03    -0.01   0.01   0.00
    11   1     0.02  -0.01   0.03    -0.04   0.03   0.05    -0.01  -0.01   0.01
    12   1    -0.39   0.03  -0.15    -0.37  -0.02  -0.13    -0.20   0.04  -0.12
    13   1     0.08  -0.11   0.50     0.04  -0.10   0.45     0.03  -0.07   0.21
    14   1    -0.45   0.18  -0.03     0.25  -0.08  -0.02     0.31  -0.05  -0.03
    15   1     0.03  -0.30  -0.03    -0.12   0.29  -0.05    -0.04   0.30   0.03
    16   1     0.21   0.35   0.02    -0.25  -0.21   0.01    -0.17  -0.18   0.01
    17   1    -0.04   0.04  -0.02     0.12  -0.26   0.02    -0.07   0.45   0.00
    18   1     0.07  -0.09   0.04    -0.14   0.17  -0.22     0.21  -0.18   0.40
    19   1    -0.06  -0.12  -0.09     0.11   0.24   0.27    -0.11  -0.27  -0.32
                      7                      8                      9
                      A                      A                      A
 Frequencies --    277.7104               296.1279               345.7699
 Red. masses --      2.3911                 3.2290                 3.6382
 Frc consts  --      0.1087                 0.1668                 0.2563
 IR Inten    --      4.8778                 0.9278                 0.2552
 RamAct Fr= 1--      0.3732                 0.5793                 0.8695
  Dep-P Fr= 1--      0.2219                 0.3314                 0.4216
  Dep-U Fr= 1--      0.3631                 0.4978                 0.5932
 Alpha2 Fr= 1--      0.0048                 0.0054                 0.0060
 Beta2  Fr= 1--      0.0226                 0.0481                 0.0860
 AlphaG Fr= 1--     -0.0052                -0.0005                 0.0010
 Gamma2 Fr= 1--     -0.2812                 0.1268                 0.0092
 Delta2 Fr= 1--      0.0078                 0.0790                -0.0711
 Raman1 Fr= 1--       1.493                  2.317                  3.478
 ROA1   Fr= 1--     -26.747                 14.702                 -1.395
 CID1   Fr= 1--     -17.915                  6.344                 -0.401
 Raman2 Fr= 1--       0.271                  0.577                  1.032
 ROA2   Fr= 1--      -6.812                  2.412                  0.789
 CID2   Fr= 1--     -25.127                  4.181                  0.764
 Raman3 Fr= 1--       0.542                  1.154                  2.063
 ROA3   Fr= 1--     -26.747                 14.702                 -1.395
 CID3   Fr= 1--     -49.333                 12.745                 -0.676
 RC180  Fr= 1--      -0.274                 -0.004                  0.186
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.03   0.01    -0.17   0.16  -0.08    -0.18   0.06  -0.10
     2   6     0.02  -0.02  -0.08    -0.06  -0.03   0.04    -0.03  -0.03   0.12
     3   6     0.00  -0.04  -0.04    -0.01  -0.04   0.03     0.05  -0.03  -0.01
     4   6    -0.01  -0.03  -0.03    -0.01   0.01   0.03     0.10  -0.01  -0.10
     5   8    -0.09  -0.04   0.04     0.08   0.00  -0.03     0.02  -0.03  -0.01
     6   6    -0.09   0.16  -0.08    -0.08   0.03   0.05    -0.05  -0.05   0.14
     7   7     0.05  -0.10   0.18     0.28  -0.07  -0.05    -0.14  -0.03   0.06
     8   8     0.04   0.02  -0.03    -0.07  -0.06   0.04     0.24   0.10  -0.08
     9   1    -0.01   0.11  -0.06    -0.05  -0.10   0.04     0.23  -0.01  -0.01
    10   1     0.08  -0.06  -0.03     0.01  -0.05   0.06    -0.04  -0.03   0.14
    11   1    -0.09   0.04   0.08     0.09  -0.09  -0.07     0.03   0.03   0.05
    12   1     0.45  -0.29   0.38     0.24   0.09  -0.10    -0.05  -0.17   0.13
    13   1     0.02  -0.04  -0.23     0.36  -0.33   0.07    -0.20   0.18  -0.10
    14   1    -0.11   0.21  -0.21     0.00   0.02   0.01    -0.03  -0.07   0.18
    15   1    -0.13   0.24  -0.12    -0.11   0.14   0.03    -0.07  -0.04   0.10
    16   1    -0.13   0.21   0.09    -0.15  -0.02   0.10    -0.09  -0.09   0.13
    17   1     0.11   0.20   0.00    -0.30   0.14  -0.07    -0.49   0.18  -0.09
    18   1     0.06  -0.02   0.18    -0.29   0.22  -0.14    -0.18   0.06  -0.11
    19   1     0.02  -0.03  -0.06     0.01   0.30  -0.17    -0.03   0.07  -0.40
                     10                     11                     12
                      A                      A                      A
 Frequencies --    397.8302               447.5626               579.5146
 Red. masses --      2.4333                 3.9923                 1.6063
 Frc consts  --      0.2269                 0.4712                 0.3178
 IR Inten    --      1.1885                 7.8298                62.4659
 RamAct Fr= 1--      0.7891                 1.5421                 1.0703
  Dep-P Fr= 1--      0.3209                 0.2371                 0.3404
  Dep-U Fr= 1--      0.4859                 0.3834                 0.5079
 Alpha2 Fr= 1--      0.0076                 0.0189                 0.0097
 Beta2  Fr= 1--      0.0639                 0.0985                 0.0906
 AlphaG Fr= 1--     -0.0098                 0.0023                -0.0183
 Gamma2 Fr= 1--      0.2679                 0.0167                -0.5614
 Delta2 Fr= 1--      0.0078                -0.0649                -0.0810
 Raman1 Fr= 1--       3.157                  6.168                  4.281
 ROA1   Fr= 1--      25.966                 -0.475                -56.484
 CID1   Fr= 1--       8.226                 -0.077                -13.193
 Raman2 Fr= 1--       0.767                  1.182                  1.087
 ROA2   Fr= 1--       6.367                  0.920                -12.826
 CID2   Fr= 1--       8.302                  0.778                -11.797
 Raman3 Fr= 1--       1.534                  2.365                  2.174
 ROA3   Fr= 1--      25.966                 -0.475                -56.484
 CID3   Fr= 1--      16.929                 -0.201                -25.978
 RC180  Fr= 1--      -0.028                 -0.233                  0.016
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12   0.02   0.16    -0.05   0.01   0.06    -0.05  -0.00   0.02
     2   6    -0.16  -0.03  -0.02    -0.04  -0.18  -0.07    -0.02  -0.06  -0.02
     3   6    -0.06   0.05  -0.08    -0.03  -0.12   0.03     0.06   0.03   0.07
     4   6    -0.02   0.02  -0.10     0.04   0.06   0.13     0.08  -0.08   0.04
     5   8    -0.01  -0.05   0.00     0.23   0.13  -0.06    -0.02  -0.05   0.04
     6   6     0.15  -0.00  -0.04     0.00   0.04  -0.11    -0.01   0.01  -0.05
     7   7     0.05   0.01   0.02    -0.14  -0.15  -0.00     0.02   0.09  -0.01
     8   8     0.08  -0.01  -0.01    -0.01   0.12   0.06     0.01  -0.03  -0.04
     9   1     0.03   0.09  -0.09    -0.18  -0.15   0.03     0.03   0.05   0.07
    10   1    -0.17  -0.02  -0.01    -0.02  -0.18  -0.06    -0.09  -0.03  -0.06
    11   1     0.09  -0.13   0.18     0.14  -0.05  -0.37    -0.45   0.58  -0.49
    12   1     0.08  -0.05   0.05    -0.23  -0.13  -0.05    -0.04   0.20  -0.06
    13   1     0.08  -0.08   0.05    -0.21   0.07  -0.05     0.00   0.14  -0.03
    14   1     0.22   0.02  -0.16     0.03   0.13  -0.38    -0.01   0.05  -0.18
    15   1     0.33  -0.06   0.28     0.02   0.19   0.01    -0.00   0.07  -0.01
    16   1     0.34   0.07  -0.28     0.02   0.13   0.03     0.01   0.06   0.02
    17   1     0.10   0.04   0.15     0.10   0.13   0.05    -0.02   0.05   0.02
    18   1    -0.25   0.04   0.26    -0.26   0.04   0.23    -0.17   0.02   0.08
    19   1    -0.13   0.08   0.31     0.04   0.11   0.08     0.01   0.07   0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    595.4457               661.8544               713.3014
 Red. masses --      1.9263                 2.9959                 3.2490
 Frc consts  --      0.4024                 0.7732                 0.9740
 IR Inten    --     31.9309                23.4973                24.9446
 RamAct Fr= 1--      2.0786                 2.0224                13.1200
  Dep-P Fr= 1--      0.3836                 0.3885                 0.0297
  Dep-U Fr= 1--      0.5545                 0.5596                 0.0576
 Alpha2 Fr= 1--      0.0163                 0.0156                 0.2720
 Beta2  Fr= 1--      0.1921                 0.1886                 0.1260
 AlphaG Fr= 1--     -0.0311                -0.0339                 0.1237
 Gamma2 Fr= 1--     -0.2787                -0.4278                -0.2629
 Delta2 Fr= 1--      0.4200                -0.0378                 0.0095
 Raman1 Fr= 1--       8.315                  8.090                 52.480
 ROA1   Fr= 1--     -13.318                -42.281                -24.934
 CID1   Fr= 1--      -1.602                 -5.227                 -0.475
 Raman2 Fr= 1--       2.305                  2.264                  1.512
 ROA2   Fr= 1--     -10.050                 -9.965                 -6.386
 CID2   Fr= 1--      -4.360                 -4.402                 -4.224
 Raman3 Fr= 1--       4.611                  4.527                  3.024
 ROA3   Fr= 1--     -13.318                -42.281                -24.934
 CID3   Fr= 1--      -2.889                 -9.339                 -8.246
 RC180  Fr= 1--       0.109                  0.119                 -0.885
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.01     0.01  -0.00  -0.00    -0.11   0.01   0.05
     2   6    -0.05   0.18  -0.01     0.01  -0.04  -0.01    -0.05   0.17  -0.02
     3   6    -0.09  -0.03  -0.01    -0.05   0.00   0.20     0.10  -0.05   0.10
     4   6    -0.01  -0.06   0.06    -0.04  -0.12   0.08     0.20  -0.11   0.11
     5   8     0.05  -0.06  -0.04    -0.06  -0.11  -0.15    -0.04   0.12   0.00
     6   6     0.00   0.01   0.01    -0.01  -0.00  -0.06    -0.02   0.03  -0.11
     7   7     0.01  -0.06   0.00     0.03   0.11  -0.01     0.01  -0.10   0.01
     8   8     0.06   0.08   0.02     0.09   0.14  -0.00    -0.03  -0.05  -0.12
     9   1    -0.18  -0.05  -0.01    -0.11   0.01   0.20    -0.03  -0.13   0.10
    10   1     0.03   0.14   0.04    -0.03  -0.01  -0.09    -0.06   0.17  -0.03
    11   1    -0.26   0.15  -0.59     0.24  -0.66   0.16     0.26  -0.01   0.59
    12   1     0.14  -0.13   0.07     0.01   0.42  -0.09    -0.09   0.07  -0.08
    13   1     0.08  -0.28   0.03     0.07  -0.02  -0.06    -0.07   0.10  -0.15
    14   1     0.04  -0.09   0.25    -0.05   0.05  -0.18     0.02  -0.05   0.07
    15   1     0.04  -0.12   0.01    -0.05   0.08  -0.08     0.02  -0.08  -0.09
    16   1     0.01  -0.10  -0.23    -0.03   0.06   0.10    -0.00  -0.07  -0.32
    17   1     0.03  -0.12   0.01     0.06   0.00  -0.00    -0.08  -0.10   0.05
    18   1     0.23  -0.06  -0.08    -0.03   0.00   0.03     0.07  -0.05  -0.01
    19   1    -0.19  -0.14   0.11     0.03   0.02   0.03    -0.29  -0.12   0.15
                     16                     17                     18
                      A                      A                      A
 Frequencies --    801.6191               859.5473               869.5482
 Red. masses --      1.8428                 2.3774                 2.8724
 Frc consts  --      0.6977                 1.0349                 1.2796
 IR Inten    --    181.7253                50.3793                 3.5335
 RamAct Fr= 1--      0.3551                 9.2232                 3.5384
  Dep-P Fr= 1--      0.1960                 0.0829                 0.2335
  Dep-U Fr= 1--      0.3277                 0.1531                 0.3785
 Alpha2 Fr= 1--      0.0049                 0.1683                 0.0439
 Beta2  Fr= 1--      0.0194                 0.2354                 0.2232
 AlphaG Fr= 1--      0.0013                -0.0145                -0.0016
 Gamma2 Fr= 1--      0.3388                -0.2084                 0.3332
 Delta2 Fr= 1--     -0.0678                -0.3613                 0.8302
 Raman1 Fr= 1--       1.420                 36.893                 14.154
 ROA1   Fr= 1--      30.358                -31.572                 58.553
 CID1   Fr= 1--      21.374                 -0.856                  4.137
 Raman2 Fr= 1--       0.233                  2.825                  2.679
 ROA2   Fr= 1--       8.674                 -2.112                  1.355
 CID2   Fr= 1--      37.269                 -0.748                  0.506
 Raman3 Fr= 1--       0.465                  5.650                  5.358
 ROA3   Fr= 1--      30.358                -31.572                 58.553
 CID3   Fr= 1--      65.223                 -5.588                 10.929
 RC180  Fr= 1--      -0.345                 -0.694                 -0.243
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.01     0.09  -0.00  -0.07    -0.07  -0.04   0.05
     2   6     0.00  -0.05  -0.02    -0.08  -0.04  -0.08     0.05   0.03   0.00
     3   6    -0.04  -0.01  -0.06    -0.09   0.08  -0.11     0.20   0.01  -0.20
     4   6     0.10  -0.09   0.10     0.08  -0.08   0.09    -0.02  -0.06   0.15
     5   8    -0.01   0.05  -0.01    -0.01   0.02  -0.02    -0.05  -0.07  -0.06
     6   6    -0.00  -0.00   0.05    -0.02  -0.00   0.18     0.00   0.03  -0.02
     7   7    -0.06   0.13  -0.05     0.06  -0.07   0.06     0.05   0.03   0.02
     8   8    -0.02   0.01  -0.05    -0.01   0.01  -0.04    -0.08   0.08   0.08
     9   1    -0.18  -0.00  -0.06    -0.33   0.15  -0.12     0.14   0.02  -0.20
    10   1    -0.02  -0.06   0.02    -0.11  -0.03  -0.05    -0.02   0.01   0.13
    11   1     0.08  -0.01   0.15     0.02   0.03   0.06    -0.02  -0.35  -0.19
    12   1     0.38  -0.46   0.30    -0.27   0.34  -0.20    -0.12  -0.29   0.02
    13   1     0.16  -0.45   0.38    -0.09   0.30  -0.30    -0.10   0.52   0.04
    14   1     0.01   0.01   0.02     0.06   0.00   0.10     0.03  -0.05   0.17
    15   1     0.02   0.01   0.10     0.07   0.01   0.38     0.01  -0.10  -0.06
    16   1     0.02   0.03   0.08     0.05   0.01   0.07    -0.02  -0.07  -0.17
    17   1     0.02   0.06  -0.01     0.27   0.09  -0.09    -0.23   0.05   0.06
    18   1    -0.09   0.02   0.03    -0.06   0.01   0.07    -0.23   0.02   0.04
    19   1     0.09   0.06  -0.03     0.13   0.07  -0.01     0.09   0.06  -0.10
                     19                     20                     21
                      A                      A                      A
 Frequencies --    938.1728               957.8676               973.5137
 Red. masses --      1.1992                 2.1984                 1.4825
 Frc consts  --      0.6219                 1.1884                 0.8278
 IR Inten    --      0.7586                 9.7476                 0.0542
 RamAct Fr= 1--      0.6750                 6.4936                 2.1939
  Dep-P Fr= 1--      0.4982                 0.7321                 0.7279
  Dep-U Fr= 1--      0.6651                 0.8454                 0.8425
 Alpha2 Fr= 1--      0.0034                 0.0020                 0.0008
 Beta2  Fr= 1--      0.0748                 0.9149                 0.3081
 AlphaG Fr= 1--     -0.0012                 0.0016                -0.0015
 Gamma2 Fr= 1--      0.3716                -1.6256                 0.3705
 Delta2 Fr= 1--      0.2655                -0.4573                 0.0721
 Raman1 Fr= 1--       2.700                 25.974                  8.776
 ROA1   Fr= 1--      44.169               -170.695                 37.872
 CID1   Fr= 1--      16.358                 -6.572                  4.316
 Raman2 Fr= 1--       0.898                 10.979                  3.697
 ROA2   Fr= 1--       6.795                -35.357                  8.314
 CID2   Fr= 1--       7.567                 -3.220                  2.249
 Raman3 Fr= 1--       1.796                 21.958                  7.393
 ROA3   Fr= 1--      44.169               -170.695                 37.872
 CID3   Fr= 1--      24.595                 -7.774                  5.122
 RC180  Fr= 1--       0.330                  0.691                  0.685
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.05  -0.04     0.07   0.01  -0.12    -0.12   0.04  -0.02
     2   6     0.04  -0.00  -0.02    -0.15   0.03  -0.05     0.04   0.02  -0.09
     3   6    -0.03  -0.00   0.02     0.17  -0.07   0.10     0.04   0.00  -0.02
     4   6    -0.00   0.01  -0.02    -0.04   0.04  -0.02    -0.00   0.00   0.01
     5   8     0.00   0.00   0.00    -0.01  -0.03  -0.00    -0.01  -0.01  -0.00
     6   6     0.06   0.06  -0.00    -0.06   0.02   0.06     0.07  -0.05   0.09
     7   7    -0.00  -0.00   0.00    -0.02   0.01  -0.04     0.00  -0.00  -0.01
     8   8     0.01  -0.01  -0.01    -0.01   0.00   0.03    -0.01   0.01   0.01
     9   1    -0.07   0.01   0.02     0.30  -0.11   0.11     0.05  -0.00  -0.02
    10   1    -0.13  -0.05   0.32    -0.36   0.10  -0.07     0.12   0.05  -0.28
    11   1     0.00   0.03   0.02    -0.01  -0.08  -0.04    -0.01  -0.03  -0.02
    12   1    -0.00   0.06  -0.01     0.08  -0.25   0.08    -0.00  -0.09   0.01
    13   1     0.01  -0.04  -0.01    -0.01   0.03   0.15    -0.01   0.05   0.02
    14   1    -0.10  -0.06   0.46     0.07  -0.01   0.02    -0.14   0.08  -0.10
    15   1    -0.10  -0.15  -0.43     0.08  -0.01   0.33    -0.09   0.15  -0.14
    16   1    -0.14  -0.15   0.03     0.06   0.02  -0.18    -0.03   0.09   0.56
    17   1     0.32   0.17  -0.06     0.52   0.14  -0.15     0.23  -0.11  -0.03
    18   1    -0.34  -0.03   0.29    -0.07  -0.01   0.15     0.14  -0.09   0.08
    19   1     0.04   0.11   0.13    -0.01   0.07   0.15    -0.47  -0.17   0.29
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1052.0243              1124.7188              1137.4624
 Red. masses --      1.7242                 2.3281                 2.8156
 Frc consts  --      1.1243                 1.7352                 2.1463
 IR Inten    --      8.3746                 6.7812               260.5224
 RamAct Fr= 1--      3.3414                 7.9023                 1.5767
  Dep-P Fr= 1--      0.5320                 0.5600                 0.5236
  Dep-U Fr= 1--      0.6945                 0.7180                 0.6873
 Alpha2 Fr= 1--      0.0141                 0.0285                 0.0069
 Beta2  Fr= 1--      0.3868                 0.9456                 0.1806
 AlphaG Fr= 1--      0.0079                -0.0093                -0.0163
 Gamma2 Fr= 1--      0.3144                 0.9531                 0.3865
 Delta2 Fr= 1--      0.0440                 0.5451                -0.1803
 Raman1 Fr= 1--      13.366                 31.609                  6.307
 ROA1   Fr= 1--      31.596                108.943                 31.330
 CID1   Fr= 1--       2.364                  3.447                  4.967
 Raman2 Fr= 1--       4.641                 11.347                  2.167
 ROA2   Fr= 1--       7.195                 18.515                 10.717
 CID2   Fr= 1--       1.550                  1.632                  4.945
 Raman3 Fr= 1--       9.282                 22.694                  4.335
 ROA3   Fr= 1--      31.596                108.943                 31.330
 CID3   Fr= 1--       3.404                  4.801                  7.228
 RC180  Fr= 1--       0.389                  0.436                  0.375
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.07   0.02     0.06   0.07  -0.08    -0.01  -0.06   0.02
     2   6     0.01   0.09   0.02    -0.12  -0.01   0.22     0.01   0.08  -0.05
     3   6     0.01   0.15   0.02    -0.05   0.02  -0.09    -0.00  -0.11  -0.02
     4   6     0.01  -0.00   0.02     0.01  -0.07   0.05    -0.14  -0.18  -0.04
     5   8    -0.01  -0.02  -0.01     0.00   0.04   0.01     0.03   0.18   0.13
     6   6     0.04  -0.06  -0.01     0.05  -0.07  -0.11     0.00  -0.02   0.03
     7   7    -0.02  -0.13  -0.04     0.03   0.02   0.02     0.01   0.06   0.03
     8   8    -0.01   0.01   0.01    -0.01   0.01  -0.01     0.05  -0.03  -0.06
     9   1     0.14   0.06   0.03     0.34  -0.21  -0.05     0.32   0.12  -0.05
    10   1    -0.45   0.30  -0.22    -0.20  -0.05   0.41     0.01   0.10  -0.15
    11   1    -0.01   0.00   0.00    -0.00  -0.08  -0.08    -0.01  -0.56  -0.45
    12   1     0.04  -0.12  -0.01    -0.05  -0.07   0.01     0.01   0.25  -0.02
    13   1     0.02  -0.29   0.00    -0.02   0.14  -0.04     0.04  -0.03  -0.07
    14   1    -0.10   0.06  -0.20    -0.15   0.05  -0.28    -0.03   0.02  -0.05
    15   1    -0.06   0.13  -0.11    -0.08   0.09  -0.29    -0.00   0.06   0.06
    16   1     0.01   0.10   0.33    -0.05   0.01   0.22     0.03   0.04   0.08
    17   1    -0.12   0.13   0.02     0.33  -0.01  -0.09    -0.08   0.09   0.01
    18   1    -0.27   0.05   0.04     0.25  -0.03   0.01    -0.22   0.02   0.04
    19   1     0.33   0.17  -0.14    -0.11  -0.03   0.12     0.16   0.08  -0.06
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1168.6297              1199.7763              1239.8922
 Red. masses --      1.4293                 1.9225                 1.8982
 Frc consts  --      1.1500                 1.6305                 1.7194
 IR Inten    --      5.0577                 5.2905                21.6030
 RamAct Fr= 1--      3.5342                 2.2203                 2.7651
  Dep-P Fr= 1--      0.4949                 0.6046                 0.7171
  Dep-U Fr= 1--      0.6621                 0.7536                 0.8353
 Alpha2 Fr= 1--      0.0179                 0.0060                 0.0016
 Beta2  Fr= 1--      0.3900                 0.2789                 0.3849
 AlphaG Fr= 1--     -0.0628                 0.0005                -0.0044
 Gamma2 Fr= 1--     -0.7515                -0.9189                 0.2859
 Delta2 Fr= 1--      0.5788                -0.1987                 0.1605
 Raman1 Fr= 1--      14.137                  8.881                 11.060
 ROA1   Fr= 1--     -53.627                -94.574                 32.581
 CID1   Fr= 1--      -3.793                -10.649                  2.946
 Raman2 Fr= 1--       4.680                  3.347                  4.619
 ROA2   Fr= 1--     -22.667                -20.464                  5.577
 CID2   Fr= 1--      -4.843                 -6.115                  1.207
 Raman3 Fr= 1--       9.361                  6.693                  9.238
 ROA3   Fr= 1--     -53.627                -94.574                 32.581
 CID3   Fr= 1--      -5.729                -14.130                  3.527
 RC180  Fr= 1--       0.324                  0.507                  0.671
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.04  -0.02    -0.08  -0.07  -0.08    -0.02   0.03  -0.02
     2   6     0.03  -0.09   0.01     0.17   0.09   0.09     0.06  -0.06   0.03
     3   6     0.04   0.10  -0.01    -0.04  -0.00  -0.03    -0.01   0.18   0.09
     4   6     0.01  -0.04   0.03     0.01   0.01  -0.00    -0.04  -0.04  -0.02
     5   8    -0.01   0.01   0.01     0.00  -0.01  -0.01    -0.02   0.05   0.05
     6   6    -0.03   0.04  -0.00    -0.11  -0.07  -0.02    -0.04   0.02  -0.01
     7   7    -0.06  -0.06  -0.02    -0.00   0.00   0.02     0.04  -0.06  -0.07
     8   8    -0.02   0.01   0.01    -0.01   0.01   0.01     0.04  -0.03  -0.05
     9   1     0.51   0.48  -0.05    -0.00  -0.08  -0.02    -0.37  -0.05   0.12
    10   1     0.12  -0.12   0.05     0.27   0.05   0.13     0.03  -0.06   0.05
    11   1    -0.01  -0.10  -0.07     0.01   0.09   0.07    -0.04  -0.35  -0.27
    12   1     0.06   0.26  -0.05    -0.00   0.08  -0.00    -0.06  -0.58   0.02
    13   1     0.06  -0.44  -0.06     0.02  -0.07  -0.03    -0.07   0.35   0.12
    14   1     0.08  -0.04   0.13     0.16  -0.01  -0.40     0.10  -0.04   0.03
    15   1     0.04  -0.09   0.06     0.05   0.09   0.37     0.03  -0.06   0.08
    16   1    -0.01  -0.05  -0.20     0.18   0.15  -0.19     0.02   0.01  -0.13
    17   1     0.09  -0.07  -0.02     0.29   0.14  -0.10     0.07  -0.06  -0.02
    18   1     0.15  -0.04   0.01    -0.29  -0.09   0.31     0.07  -0.03   0.05
    19   1    -0.16  -0.05   0.07    -0.05   0.10   0.23    -0.12  -0.05   0.07
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1298.8007              1319.8077              1359.7613
 Red. masses --      1.3076                 1.4133                 1.4408
 Frc consts  --      1.2996                 1.4505                 1.5696
 IR Inten    --      0.4988                10.9367                11.6669
 RamAct Fr= 1--      8.9583                 6.5600                 3.3009
  Dep-P Fr= 1--      0.4231                 0.5174                 0.6347
  Dep-U Fr= 1--      0.5946                 0.6820                 0.7765
 Alpha2 Fr= 1--      0.0610                 0.0298                 0.0069
 Beta2  Fr= 1--      0.8878                 0.7456                 0.4272
 AlphaG Fr= 1--     -0.0075                 0.0372                 0.0236
 Gamma2 Fr= 1--     -0.2812                 0.7306                -0.0445
 Delta2 Fr= 1--     -1.0252                -0.7175                 0.4076
 Raman1 Fr= 1--      35.833                 26.240                 13.204
 ROA1   Fr= 1--     -59.807                 47.176                  8.766
 CID1   Fr= 1--      -1.669                  1.798                  0.664
 Raman2 Fr= 1--      10.654                  8.948                  5.127
 ROA2   Fr= 1--       1.452                 23.275                 -4.330
 CID2   Fr= 1--       0.136                  2.601                 -0.845
 Raman3 Fr= 1--      21.307                 17.895                 10.253
 ROA3   Fr= 1--     -59.807                 47.176                  8.766
 CID3   Fr= 1--      -2.807                  2.636                  0.855
 RC180  Fr= 1--       0.189                  0.364                  0.553
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02  -0.00     0.01  -0.02   0.01     0.01  -0.07  -0.01
     2   6     0.02  -0.03  -0.01    -0.06   0.05  -0.04    -0.12   0.04   0.02
     3   6    -0.10   0.04   0.01     0.01   0.00   0.05     0.00   0.04   0.02
     4   6    -0.03  -0.08   0.00    -0.08  -0.10  -0.02     0.07   0.08   0.02
     5   8     0.03   0.01  -0.02     0.04   0.01  -0.02    -0.04  -0.02   0.01
     6   6    -0.01   0.05   0.00     0.01  -0.04  -0.00     0.03   0.00  -0.01
     7   7     0.03   0.01  -0.00     0.02  -0.02  -0.05    -0.01  -0.01  -0.00
     8   8    -0.01   0.02   0.02    -0.00   0.03   0.02    -0.00  -0.02  -0.02
     9   1     0.57  -0.41   0.07     0.04   0.53  -0.01     0.07  -0.08   0.04
    10   1     0.13   0.06  -0.44     0.35  -0.20   0.38     0.81  -0.18  -0.20
    11   1     0.04   0.30   0.21     0.06   0.38   0.28    -0.04  -0.26  -0.19
    12   1    -0.05  -0.19   0.01    -0.01  -0.22  -0.01     0.00  -0.02   0.00
    13   1    -0.02   0.18   0.00    -0.03   0.20   0.09    -0.00  -0.03   0.00
    14   1     0.05  -0.03   0.18    -0.07   0.01  -0.09    -0.10   0.03   0.03
    15   1     0.04  -0.09   0.02    -0.02   0.10   0.02    -0.01   0.04  -0.06
    16   1    -0.05  -0.03  -0.07     0.02   0.03   0.11    -0.05  -0.04   0.06
    17   1     0.02   0.00  -0.01    -0.04   0.06   0.00     0.06   0.16  -0.03
    18   1    -0.06  -0.01   0.02    -0.07   0.02  -0.03    -0.12  -0.01  -0.01
    19   1     0.03   0.01  -0.02     0.04   0.00  -0.02     0.16   0.09  -0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1383.7294              1406.7049              1426.9729
 Red. masses --      1.4250                 1.2556                 1.3023
 Frc consts  --      1.6075                 1.4639                 1.5624
 IR Inten    --     10.3827                 7.6586                 2.5922
 RamAct Fr= 1--      1.5826                 0.0721                 0.6274
  Dep-P Fr= 1--      0.7399                 0.3044                 0.5298
  Dep-U Fr= 1--      0.8505                 0.4668                 0.6926
 Alpha2 Fr= 1--      0.0003                 0.0007                 0.0027
 Beta2  Fr= 1--      0.2243                 0.0056                 0.0724
 AlphaG Fr= 1--      0.0013                 0.0028                 0.0127
 Gamma2 Fr= 1--     -0.8494                 0.0839                 0.1524
 Delta2 Fr= 1--      0.0550                 0.0408                 0.1209
 Raman1 Fr= 1--       6.330                  0.288                  2.510
 ROA1   Fr= 1--     -79.784                  9.360                 18.497
 CID1   Fr= 1--     -12.604                 32.458                  7.371
 Raman2 Fr= 1--       2.692                  0.067                  0.869
 ROA2   Fr= 1--     -20.827                  1.687                  2.690
 CID2   Fr= 1--      -7.737                 25.060                  3.095
 Raman3 Fr= 1--       5.384                  0.135                  1.738
 ROA3   Fr= 1--     -79.784                  9.360                 18.497
 CID3   Fr= 1--     -14.819                 69.537                 10.642
 RC180  Fr= 1--       0.701                 -0.066                  0.385
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.04    -0.10  -0.02   0.06    -0.07  -0.01   0.02
     2   6     0.02   0.03  -0.15     0.01   0.00  -0.04    -0.01  -0.01   0.03
     3   6    -0.05   0.04   0.02     0.01   0.02   0.01     0.06   0.02  -0.02
     4   6     0.05   0.04   0.02    -0.01  -0.01  -0.00    -0.04  -0.03  -0.02
     5   8    -0.02  -0.01   0.00     0.00   0.00  -0.00     0.01   0.01  -0.00
     6   6    -0.02  -0.04  -0.01     0.00  -0.01   0.08    -0.01  -0.00  -0.11
     7   7     0.00  -0.00   0.01    -0.00   0.00   0.00    -0.01   0.00   0.01
     8   8    -0.00  -0.01  -0.01     0.00   0.00   0.00     0.00   0.01   0.01
     9   1     0.39  -0.39   0.08     0.02  -0.13   0.02    -0.22  -0.12  -0.01
    10   1    -0.05  -0.18   0.64    -0.00  -0.04   0.12     0.05  -0.00  -0.05
    11   1    -0.03  -0.14  -0.11     0.00   0.02   0.01     0.01   0.08   0.06
    12   1    -0.01  -0.01   0.00    -0.01  -0.01   0.00     0.01   0.10  -0.00
    13   1    -0.00  -0.01  -0.02     0.00  -0.02  -0.02     0.01  -0.09  -0.04
    14   1     0.04  -0.08   0.08     0.02   0.11  -0.30     0.02  -0.19   0.44
    15   1     0.05   0.09   0.22    -0.15  -0.02  -0.25     0.20   0.06   0.37
    16   1     0.06   0.14   0.20     0.08  -0.08  -0.27    -0.07   0.18   0.41
    17   1    -0.11  -0.02   0.04     0.46   0.09   0.01     0.29   0.05  -0.01
    18   1    -0.05   0.07  -0.10     0.37  -0.08  -0.29     0.26  -0.09  -0.12
    19   1    -0.05  -0.09  -0.08     0.29   0.20  -0.31     0.19   0.17  -0.13
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1438.1467              1487.0332              1497.5999
 Red. masses --      1.6555                 1.0428                 1.0518
 Frc consts  --      2.0174                 1.3587                 1.3899
 IR Inten    --     22.4839                 0.7311                 1.9572
 RamAct Fr= 1--      1.3706                 9.0715                 0.9389
  Dep-P Fr= 1--      0.6757                 0.7490                 0.7484
  Dep-U Fr= 1--      0.8064                 0.8565                 0.8561
 Alpha2 Fr= 1--      0.0018                 0.0001                 0.0000
 Beta2  Fr= 1--      0.1842                 1.2950                 0.1340
 AlphaG Fr= 1--      0.0112                -0.0033                 0.0006
 Gamma2 Fr= 1--     -0.9399                 0.8245                -0.2273
 Delta2 Fr= 1--      0.6351                -0.0086                -0.0968
 Raman1 Fr= 1--       5.482                 36.286                  3.756
 ROA1   Fr= 1--     -69.911                 78.873                -24.921
 CID1   Fr= 1--     -12.752                  2.174                 -6.636
 Raman2 Fr= 1--       2.211                 15.540                  1.608
 ROA2   Fr= 1--     -27.639                 19.856                 -4.682
 CID2   Fr= 1--     -12.503                  1.278                 -2.912
 Raman3 Fr= 1--       4.421                 31.080                  3.215
 ROA3   Fr= 1--     -69.911                 78.873                -24.921
 CID3   Fr= 1--     -15.813                  2.538                 -7.751
 RC180  Fr= 1--       0.613                  0.713                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.01   0.02     0.01  -0.04   0.01     0.02   0.00   0.02
     2   6     0.04   0.01   0.02     0.00  -0.00  -0.00    -0.02  -0.01   0.03
     3   6    -0.13  -0.11   0.03     0.00   0.00  -0.00     0.01   0.00  -0.01
     4   6     0.09   0.09   0.04    -0.01  -0.00   0.00    -0.00  -0.01  -0.00
     5   8    -0.03  -0.02   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.01   0.01  -0.04    -0.01   0.03  -0.00    -0.04  -0.01   0.00
     7   7     0.04   0.00  -0.04    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     8   8    -0.00  -0.02  -0.02     0.00   0.00  -0.00    -0.00   0.00   0.00
     9   1     0.30   0.62  -0.04    -0.01  -0.01  -0.00    -0.05   0.02  -0.01
    10   1    -0.20   0.13  -0.13    -0.03  -0.00   0.04     0.04   0.01  -0.09
    11   1    -0.03  -0.16  -0.12     0.00   0.01   0.01     0.00   0.01   0.01
    12   1    -0.03  -0.21  -0.01     0.00   0.02  -0.00     0.03   0.05  -0.00
    13   1    -0.05   0.33   0.10    -0.00  -0.00  -0.00    -0.00  -0.00   0.02
    14   1     0.07  -0.07   0.12     0.26   0.01  -0.20     0.40  -0.18   0.15
    15   1     0.07  -0.03   0.12     0.11  -0.43  -0.00    -0.18   0.06  -0.30
    16   1    -0.03   0.07   0.15    -0.19  -0.06   0.21     0.35   0.40   0.03
    17   1     0.21   0.03   0.00    -0.10   0.55  -0.02     0.20   0.07   0.00
    18   1     0.12  -0.03  -0.10     0.07   0.07  -0.39    -0.28   0.18  -0.24
    19   1     0.12   0.07  -0.13    -0.12   0.01   0.34    -0.17  -0.28  -0.18
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1507.4797              1511.2743              1639.1403
 Red. masses --      1.0438                 1.0547                 1.1061
 Frc consts  --      1.3976                 1.4193                 1.7510
 IR Inten    --     13.5017                 5.3070                59.5376
 RamAct Fr= 1--      2.6498                 6.5386                 1.7806
  Dep-P Fr= 1--      0.7317                 0.7379                 0.7464
  Dep-U Fr= 1--      0.8451                 0.8492                 0.8548
 Alpha2 Fr= 1--      0.0008                 0.0013                 0.0001
 Beta2  Fr= 1--      0.3732                 0.9254                 0.2537
 AlphaG Fr= 1--     -0.0025                 0.0027                 0.0003
 Gamma2 Fr= 1--     -0.4955                 0.0235                -0.7408
 Delta2 Fr= 1--     -0.0613                 0.0576                -0.4154
 Raman1 Fr= 1--      10.599                 26.154                  7.122
 ROA1   Fr= 1--     -49.532                  4.104                -84.412
 CID1   Fr= 1--      -4.673                  0.157                -11.852
 Raman2 Fr= 1--       4.478                 11.105                  3.044
 ROA2   Fr= 1--     -11.403                  0.104                -14.457
 CID2   Fr= 1--      -2.546                  0.009                 -4.749
 Raman3 Fr= 1--       8.957                 22.211                  6.088
 ROA3   Fr= 1--     -49.532                  4.104                -84.412
 CID3   Fr= 1--      -5.530                  0.185                -13.865
 RC180  Fr= 1--       0.690                  0.698                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03  -0.02    -0.01   0.01  -0.03    -0.00   0.00  -0.00
     2   6     0.01  -0.03  -0.01    -0.03   0.01  -0.02     0.00  -0.00   0.00
     3   6    -0.01  -0.00   0.00     0.00  -0.01   0.00    -0.01   0.01  -0.02
     4   6     0.01   0.00  -0.00     0.00   0.00   0.00    -0.02   0.01   0.02
     5   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6     0.00  -0.03   0.00    -0.03   0.01   0.02     0.00   0.00   0.00
     7   7     0.00   0.00  -0.00     0.00   0.00   0.00    -0.03  -0.06  -0.03
     8   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.02
     9   1     0.03   0.01  -0.00     0.03  -0.00   0.00     0.01  -0.09  -0.01
    10   1    -0.07  -0.00  -0.03     0.04  -0.03   0.03     0.00  -0.00  -0.00
    11   1    -0.00  -0.00  -0.01     0.00  -0.00   0.00     0.00   0.02   0.01
    12   1    -0.01  -0.02  -0.00    -0.02  -0.01  -0.01     0.55   0.45   0.10
    13   1    -0.01   0.03  -0.00    -0.00   0.01  -0.01    -0.11   0.38   0.55
    14   1    -0.17  -0.05   0.26     0.45  -0.12  -0.04    -0.01   0.01  -0.01
    15   1    -0.15   0.47  -0.07    -0.08  -0.24  -0.25     0.00  -0.01   0.00
    16   1     0.28   0.15  -0.24     0.14   0.25   0.17    -0.01  -0.02  -0.01
    17   1    -0.23   0.37  -0.01    -0.25  -0.21   0.00    -0.01  -0.01  -0.00
    18   1     0.25  -0.07  -0.14     0.27  -0.21   0.37     0.03  -0.02   0.02
    19   1     0.02   0.19   0.41     0.23   0.31   0.14     0.02   0.02   0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1811.5255              3024.6683              3028.2226
 Red. masses --      8.6278                 1.0488                 1.0685
 Frc consts  --     16.6816                 5.6532                 5.7728
 IR Inten    --    261.2511                14.6575                22.7514
 RamAct Fr= 1--     12.9839               108.9927                60.8728
  Dep-P Fr= 1--      0.1845                 0.0659                 0.4166
  Dep-U Fr= 1--      0.3116                 0.1236                 0.5882
 Alpha2 Fr= 1--      0.1836                 2.0728                 0.4244
 Beta2  Fr= 1--      0.6743                 2.2451                 5.9677
 AlphaG Fr= 1--     -0.0313                 0.0279                -0.1202
 Gamma2 Fr= 1--     -0.2320                 6.5895                 9.7704
 Delta2 Fr= 1--      0.3631                 5.4219                 9.8295
 Raman1 Fr= 1--      51.935                435.971                243.491
 ROA1   Fr= 1--     -10.648                806.090               1252.504
 CID1   Fr= 1--      -0.205                  1.849                  5.144
 Raman2 Fr= 1--       8.091                 26.941                 71.613
 ROA2   Fr= 1--      -8.472                114.773                155.854
 CID2   Fr= 1--      -1.047                  4.260                  2.176
 Raman3 Fr= 1--      16.183                 53.883                143.226
 ROA3   Fr= 1--     -10.648                806.090               1252.504
 CID3   Fr= 1--      -0.658                 14.960                  8.745
 RC180  Fr= 1--      -0.377                 -0.753                  0.176
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.04  -0.02   0.01     0.02   0.00  -0.01
     2   6     0.01  -0.01   0.00     0.01   0.03   0.01     0.01   0.04   0.01
     3   6     0.05   0.01  -0.03     0.00  -0.00  -0.03     0.00  -0.01  -0.05
     4   6    -0.40   0.25   0.48     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   8     0.03  -0.03  -0.04     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.01  -0.01
     7   7    -0.00   0.02   0.01     0.00  -0.00   0.00    -0.00  -0.00   0.00
     8   8     0.23  -0.18  -0.30    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   1     0.18   0.04  -0.02    -0.01   0.04   0.34    -0.01   0.08   0.65
    10   1     0.01  -0.01  -0.00    -0.10  -0.33  -0.10    -0.14  -0.46  -0.14
    11   1     0.04   0.35   0.26     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   1    -0.21  -0.13  -0.04     0.00   0.00  -0.01     0.00   0.00  -0.01
    13   1     0.04  -0.19  -0.19    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   1    -0.01   0.00   0.00    -0.01  -0.03  -0.01     0.06   0.22   0.07
    15   1    -0.02   0.04  -0.01     0.06   0.01  -0.02    -0.10  -0.03   0.04
    16   1     0.03   0.01  -0.04    -0.06   0.05  -0.02     0.08  -0.09   0.04
    17   1     0.00   0.01  -0.00    -0.03  -0.03  -0.45     0.02   0.01   0.28
    18   1    -0.01   0.01  -0.00     0.20   0.57   0.17    -0.09  -0.25  -0.07
    19   1    -0.02  -0.01   0.01     0.24  -0.26   0.12    -0.18   0.19  -0.09
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3034.6402              3036.6854              3083.0582
 Red. masses --      1.0833                 1.0376                 1.0995
 Frc consts  --      5.8776                 5.6374                 6.1577
 IR Inten    --     18.3501                18.2707                22.4982
 RamAct Fr= 1--    148.0425               207.7207                41.1359
  Dep-P Fr= 1--      0.1348                 0.0139                 0.4051
  Dep-U Fr= 1--      0.2376                 0.0274                 0.5766
 Alpha2 Fr= 1--      2.3778                 4.4685                 0.2992
 Beta2  Fr= 1--      5.8633                 0.9480                 3.9534
 AlphaG Fr= 1--     -0.1074                -0.1848                -0.0635
 Gamma2 Fr= 1--    -19.1200                 0.5584                -0.0551
 Delta2 Fr= 1--    -20.4100                 0.4093                 1.6757
 Raman1 Fr= 1--     592.170                830.883                164.543
 ROA1   Fr= 1--   -2488.642                 66.708                 48.335
 CID1   Fr= 1--      -4.203                  0.080                  0.294
 Raman2 Fr= 1--      70.359                 11.376                 47.441
 ROA2   Fr= 1--    -295.601                 10.128                -14.728
 CID2   Fr= 1--      -4.201                  0.890                 -0.310
 Raman3 Fr= 1--     140.718                 22.752                 94.881
 ROA3   Fr= 1--   -2488.642                 66.708                 48.335
 CID3   Fr= 1--     -17.685                  2.932                  0.509
 RC180  Fr= 1--      -0.525                 -0.945                  0.153
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.01    -0.01  -0.00   0.01     0.00  -0.08  -0.04
     2   6    -0.02  -0.05  -0.02    -0.01  -0.02  -0.00    -0.00  -0.01  -0.00
     3   6     0.00  -0.01  -0.05     0.00  -0.00   0.01    -0.00  -0.00  -0.00
     4   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   8     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6     0.00   0.01   0.01    -0.01  -0.01  -0.05    -0.00   0.03  -0.00
     7   7    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     8   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   1    -0.01   0.07   0.65     0.00  -0.01  -0.07     0.00   0.00   0.04
    10   1     0.20   0.66   0.19     0.06   0.19   0.05     0.04   0.14   0.04
    11   1    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    12   1     0.00   0.00  -0.01     0.00  -0.00  -0.00     0.00   0.00  -0.00
    13   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   1    -0.05  -0.16  -0.05     0.16   0.54   0.17    -0.06  -0.19  -0.06
    15   1     0.02   0.01  -0.01    -0.45  -0.12   0.21    -0.06  -0.01   0.03
    16   1    -0.01   0.01  -0.01     0.37  -0.36   0.17     0.13  -0.12   0.06
    17   1    -0.01  -0.00  -0.12    -0.01  -0.01  -0.15     0.03   0.00   0.47
    18   1    -0.03  -0.09  -0.02     0.04   0.12   0.03     0.23   0.61   0.17
    19   1     0.06  -0.06   0.03     0.08  -0.08   0.04    -0.31   0.29  -0.15
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3094.2549              3096.8361              3103.1467
 Red. masses --      1.1014                 1.1008                 1.1018
 Frc consts  --      6.2131                 6.2202                 6.2509
 IR Inten    --     25.6173                42.6576                25.2564
 RamAct Fr= 1--     40.1087               116.1942                61.9891
  Dep-P Fr= 1--      0.5750                 0.6051                 0.7482
  Dep-U Fr= 1--      0.7302                 0.7539                 0.8560
 Alpha2 Fr= 1--      0.1320                 0.3109                 0.0019
 Beta2  Fr= 1--      4.8811                14.6007                 8.8436
 AlphaG Fr= 1--     -0.0484                -0.1960                -0.0251
 Gamma2 Fr= 1--    -11.7611                19.4990                -8.8166
 Delta2 Fr= 1--    -12.6458                15.3180                -2.0497
 Raman1 Fr= 1--     160.435                464.777                247.956
 ROA1   Fr= 1--   -1533.730               2362.076               -911.988
 CID1   Fr= 1--      -9.560                  5.082                 -3.678
 Raman2 Fr= 1--      58.573                175.209                106.123
 ROA2   Fr= 1--    -181.100                345.431               -195.201
 CID2   Fr= 1--      -3.092                  1.972                 -1.839
 Raman3 Fr= 1--     117.147                350.417                212.247
 ROA3   Fr= 1--   -1533.730               2362.076               -911.988
 CID3   Fr= 1--     -13.092                  6.741                 -4.297
 RC180  Fr= 1--       0.460                  0.508                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.05     0.04  -0.04   0.05    -0.00   0.00  -0.01
     2   6    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     6   6     0.01  -0.07   0.00    -0.00  -0.05   0.00    -0.09  -0.01   0.01
     7   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   8    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   1     0.00   0.00   0.03    -0.00  -0.00  -0.01     0.00  -0.00  -0.00
    10   1     0.04   0.13   0.04     0.03   0.11   0.03     0.01   0.04   0.01
    11   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    12   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    14   1     0.15   0.47   0.16     0.12   0.39   0.13     0.05   0.23   0.08
    15   1     0.07   0.00  -0.03     0.15   0.03  -0.07     0.73   0.19  -0.35
    16   1    -0.37   0.34  -0.17    -0.26   0.23  -0.12     0.32  -0.32   0.16
    17   1     0.02   0.03   0.50    -0.02  -0.03  -0.44     0.00   0.00   0.06
    18   1     0.05   0.15   0.03     0.04   0.08   0.04     0.01   0.02   0.00
    19   1     0.24  -0.25   0.10    -0.44   0.44  -0.20     0.05  -0.05   0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3509.5648              3597.2549              3726.9170
 Red. masses --      1.0482                 1.0939                 1.0640
 Frc consts  --      7.6069                 8.3401                 8.7078
 IR Inten    --      5.3770                 8.9865                67.6812
 RamAct Fr= 1--     78.1138                25.7001               101.8772
  Dep-P Fr= 1--      0.0565                 0.6568                 0.2231
  Dep-U Fr= 1--      0.1070                 0.7929                 0.3649
 Alpha2 Fr= 1--      1.5192                 0.0428                 1.3003
 Beta2  Fr= 1--      1.3926                 3.3961                 6.1950
 AlphaG Fr= 1--     -0.5101                -0.0301                -0.0800
 Gamma2 Fr= 1--     -1.6208                -2.8088                -2.2551
 Delta2 Fr= 1--      0.1360                 0.5934                -0.0860
 Raman1 Fr= 1--     312.455                102.800                407.509
 ROA1   Fr= 1--    -151.243               -250.656               -219.242
 CID1   Fr= 1--      -0.484                 -2.438                 -0.538
 Raman2 Fr= 1--      16.711                 40.754                 74.340
 ROA2   Fr= 1--     -39.987                -72.159                -53.435
 CID2   Fr= 1--      -2.393                 -1.771                 -0.719
 Raman3 Fr= 1--      33.421                 81.508                148.681
 ROA3   Fr= 1--    -151.243               -250.656               -219.242
 CID3   Fr= 1--      -4.525                 -3.075                 -1.475
 RC180  Fr= 1--      -0.786                  0.586                 -0.270
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.05  -0.02   0.02
     6   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   7    -0.02  -0.03  -0.04    -0.07  -0.01   0.04    -0.00   0.00  -0.00
     8   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     9   1    -0.00   0.00   0.01    -0.00  -0.00  -0.01     0.00   0.00   0.00
    10   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.88   0.27  -0.39
    12   1    -0.32   0.18   0.69     0.22  -0.14  -0.56    -0.00  -0.00   0.00
    13   1     0.59   0.18  -0.05     0.75   0.22  -0.04     0.00   0.00  -0.00
    14   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    15   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    17   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    18   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    19   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   613.791301254.597031341.77734
           X            0.99999   0.00236   0.00262
           Y           -0.00222   0.99879  -0.04914
           Z           -0.00274   0.04914   0.99879
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.14111     0.06904     0.06455
 Rotational constants (GHZ):           2.94032     1.43850     1.34504
 Zero-point vibrational energy     431031.1 (Joules/Mol)
                                  103.01890 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     80.52   121.30   254.70   311.00   318.98
          (Kelvin)            354.66   399.56   426.06   497.49   572.39
                              643.94   833.79   856.71   952.26  1026.28
                             1153.35  1236.70  1251.09  1349.82  1378.16
                             1400.67  1513.63  1618.22  1636.55  1681.40
                             1726.21  1783.93  1868.68  1898.91  1956.39
                             1990.88  2023.93  2053.10  2069.17  2139.51
                             2154.71  2168.93  2174.39  2358.36  2606.38
                             4351.82  4356.94  4366.17  4369.11  4435.83
                             4451.94  4455.66  4464.74  5049.48  5175.65
                             5362.20
 
 Zero-point correction=                           0.164171 (Hartree/Particle)
 Thermal correction to Energy=                    0.173670
 Thermal correction to Enthalpy=                  0.174614
 Thermal correction to Gibbs Free Energy=         0.129974
 Sum of electronic and zero-point Energies=           -402.405553
 Sum of electronic and thermal Energies=              -402.396054
 Sum of electronic and thermal Enthalpies=            -402.395110
 Sum of electronic and thermal Free Energies=         -402.439750
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  108.979             34.465             93.953
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.426
 Vibrational            107.202             28.503             25.339
 Vibration     1          0.596              1.975              4.595
 Vibration     2          0.601              1.960              3.788
 Vibration     3          0.628              1.871              2.360
 Vibration     4          0.645              1.816              1.991
 Vibration     5          0.648              1.808              1.945
 Vibration     6          0.661              1.769              1.755
 Vibration     7          0.679              1.715              1.548
 Vibration     8          0.690              1.681              1.439
 Vibration     9          0.724              1.584              1.185
 Vibration    10          0.764              1.475              0.971
 Vibration    11          0.807              1.366              0.803
 Vibration    12          0.936              1.076              0.486
 Vibration    13          0.953              1.041              0.458
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.164498D-59        -59.783840       -137.657378
 Total V=0       0.536470D+16         15.729545         36.218616
 Vib (Bot)       0.907904D-73        -73.041960       -168.185329
 Vib (Bot)    1  0.369148D+01          0.567200          1.306027
 Vib (Bot)    2  0.244115D+01          0.387595          0.892471
 Vib (Bot)    3  0.113575D+01          0.055284          0.127297
 Vib (Bot)    4  0.916549D+00         -0.037844         -0.087140
 Vib (Bot)    5  0.891556D+00         -0.049851         -0.114787
 Vib (Bot)    6  0.793079D+00         -0.100684         -0.231833
 Vib (Bot)    7  0.693143D+00         -0.159177         -0.366519
 Vib (Bot)    8  0.643603D+00         -0.191382         -0.440673
 Vib (Bot)    9  0.535048D+00         -0.271607         -0.625398
 Vib (Bot)   10  0.448731D+00         -0.348014         -0.801332
 Vib (Bot)   11  0.383914D+00         -0.415766         -0.957335
 Vib (Bot)   12  0.263075D+00         -0.579920         -1.335315
 Vib (Bot)   13  0.251943D+00         -0.598697         -1.378552
 Vib (V=0)       0.296091D+03          2.471425          5.690665
 Vib (V=0)    1  0.422519D+01          0.625846          1.441064
 Vib (V=0)    2  0.299183D+01          0.475937          1.095886
 Vib (V=0)    3  0.174094D+01          0.240784          0.554427
 Vib (V=0)    4  0.154406D+01          0.188664          0.434416
 Vib (V=0)    5  0.152219D+01          0.182469          0.420150
 Vib (V=0)    6  0.143754D+01          0.157619          0.362930
 Vib (V=0)    7  0.135466D+01          0.131831          0.303552
 Vib (V=0)    8  0.131500D+01          0.118926          0.273837
 Vib (V=0)    9  0.123231D+01          0.090720          0.208890
 Vib (V=0)   10  0.117183D+01          0.068866          0.158569
 Vib (V=0)   11  0.113039D+01          0.053228          0.122562
 Vib (V=0)   12  0.106499D+01          0.027344          0.062961
 Vib (V=0)   13  0.105989D+01          0.025260          0.058164
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.363872D+06          5.560948         12.804557
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3    3  3        33333333                                         1     111111111111 11111  1                                   
     7    5  5        10000000                                         8     655444443332 22111  0 99988 8  7 6 55   4 33222221      
     2    9  1        09983322                                         1     310983208629 40632  5 75376 0  1 6 98   4 94974217   85 
     7    7  0        37437585                                         2     917878774009 00975  2 48800 2  3 2 50   8 86686267   46 
 
     X    X  X        XXXXXXXX                                         X     XXXXXXXXXXXX XXXXX  X XXXXX X  X X XX   X XXXXXXXX   XX 
     X                XXXX  X                                          X     X    X       X  X         X X  X X XX                   
     X                 X                                               X     X               X         X X       X                   
     X                                                                 X     X               X         X X       X                   
     X                                                                 X     X               X           X       X                   
                                                                       X                     X           X                           
                                                                       X                     X           X                           
                                                                       X                     X           X                           
                                                                       X                     X           X                           
                                                                       X                     X           X                           
                                                                       X                     X           X                           
                                                                       X                     X           X                           
                                                                       X                     X           X                           
                                                                       X                     X           X                           
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000010902    0.000003247    0.000002748
      2        6          -0.000001761    0.000003346   -0.000018613
      3        6           0.000025816   -0.000035831   -0.000001968
      4        6          -0.000006568    0.000030933    0.000028732
      5        8           0.000003535   -0.000024682   -0.000013830
      6        6           0.000004683    0.000009912    0.000000725
      7        7          -0.000012633    0.000005944    0.000007436
      8        8           0.000011734   -0.000001518   -0.000012042
      9        1          -0.000010085    0.000001010   -0.000007752
     10        1           0.000001913    0.000001058   -0.000003017
     11        1          -0.000000502    0.000003243   -0.000002535
     12        1           0.000001190    0.000007078    0.000007434
     13        1           0.000002658   -0.000001507    0.000002639
     14        1           0.000001806   -0.000001639    0.000004452
     15        1          -0.000002569   -0.000001573    0.000001601
     16        1          -0.000001941   -0.000002012    0.000005113
     17        1          -0.000000577    0.000000462   -0.000001362
     18        1          -0.000001047    0.000001892   -0.000000938
     19        1          -0.000004750    0.000000640    0.000001175
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000035831 RMS     0.000010402
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.880671D+02 -0.158822D+00 -0.244228D+01
      2  -0.158822D+00  0.777365D+02  0.193119D+01
      3  -0.244228D+01  0.193119D+01  0.758147D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.236152D+01  0.146183D+01 -0.105152D+01
      2   0.569586D+01 -0.687667D+01  0.315116D+02
      3   0.696256D+01 -0.273295D+02  0.798538D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.761869D+02 -0.242241D+02  0.302960D+01
      2  -0.419834D+02  0.250965D+02 -0.910357D+01
      3  -0.342035D+02 -0.872390D+00  0.607397D+01
      4  -0.252669D+02  0.485842D+02 -0.186013D+02
      5   0.111695D+02 -0.209284D+02  0.631533D+02
      6  -0.515162D+01  0.135771D+01 -0.703303D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.161427D+00  0.248146D+01 -0.349929D+01  0.387236D+01 -0.473725D+01
      2   0.248146D+01 -0.419830D+01  0.146667D+00 -0.473725D+01 -0.263150D+01
      3  -0.349929D+01  0.146667D+00  0.109621D+01 -0.417902D-01 -0.207218D+01
                 6             7             8             9            10 
      1  -0.417902D-01 -0.469267D+01  0.482464D+00 -0.120908D+00  0.162088D+01
      2  -0.207218D+01  0.482464D+00 -0.244931D+01  0.372070D+00 -0.286453D+01
      3   0.499493D+00 -0.120908D+00  0.372070D+00  0.737046D+01  0.426084D+01
                11            12            13            14            15 
      1  -0.286453D+01  0.426084D+01 -0.621362D+01  0.462699D+01  0.180355D+00
      2   0.440982D+01  0.287567D+00  0.462699D+01  0.406846D+01  0.306040D+01
      3   0.287567D+00 -0.345496D+00  0.180355D+00  0.306040D+01  0.271142D-01
                16            17            18            19            20 
      1   0.649036D+01 -0.355262D+00 -0.958234D-02 -0.377867D+01  0.449579D+01
      2  -0.355262D+00  0.336930D+01  0.222918D+00  0.449579D+01 -0.225934D+01
      3  -0.958234D-02  0.222918D+00 -0.527039D+01 -0.138766D+01  0.556313D+00
                21            22            23            24            25 
      1  -0.138766D+01  0.704536D+01 -0.173622D+01 -0.573359D-01 -0.346102D+01
      2   0.556313D+00 -0.173622D+01 -0.191564D+00 -0.469275D+00  0.606993D+00
      3  -0.495472D+00 -0.573359D-01 -0.469275D+00  0.211128D+01 -0.634804D+00
                26            27            28            29            30 
      1   0.606993D+00 -0.634804D+00  0.909524D+00 -0.272257D+01 -0.787949D+00
      2  -0.242570D+01  0.219887D+01 -0.272257D+01  0.851988D-01  0.156202D+01
      3   0.219887D+01  0.664052D+01 -0.787949D+00  0.156202D+01  0.251091D+00
                31            32            33            34            35 
      1  -0.311184D+01  0.298529D-01  0.160696D+01 -0.334388D+01  0.166416D+01
      2   0.298529D-01 -0.610821D+00  0.365170D+00  0.166416D+01 -0.231372D+00
      3   0.160696D+01  0.365170D+00 -0.149046D+01  0.158765D+01 -0.112542D+01
                36            37            38            39            40 
      1   0.158765D+01  0.450804D+01  0.140786D+01 -0.166813D+01  0.129533D-01
      2  -0.112542D+01  0.140786D+01  0.169136D+01 -0.708159D+00 -0.819774D-01
      3  -0.302175D+01 -0.166813D+01 -0.708159D+00  0.412321D+00 -0.873149D+00
                41            42            43            44            45 
      1  -0.819774D-01 -0.873149D+00 -0.347007D+01 -0.173664D+01 -0.990111D+00
      2  -0.321265D+01 -0.164328D+01 -0.173664D+01 -0.213970D+01 -0.153937D+01
      3  -0.164328D+01 -0.648674D+00 -0.990111D+00 -0.153937D+01 -0.271103D+01
                46            47            48            49            50 
      1   0.136342D+01  0.326899D+01 -0.461664D+01  0.326444D+01 -0.351348D+01
      2   0.326899D+01 -0.331639D+01  0.145944D+00 -0.351348D+01 -0.254811D+01
      3  -0.461664D+01  0.145944D+00  0.638985D+00  0.136816D+00 -0.345083D+01
                51            52            53            54            55 
      1   0.136816D+00 -0.371522D+01 -0.428655D-01  0.419454D+00 -0.381700D+01
      2  -0.345083D+01 -0.428655D-01 -0.283401D+01 -0.929055D-01 -0.666236D+00
      3   0.466492D+00  0.419454D+00 -0.929055D-01  0.353709D+01  0.419519D-01
                56            57            58            59            60 
      1  -0.666236D+00  0.419519D-01 -0.197553D+01 -0.498729D+00 -0.980479D-03
      2  -0.621315D-01 -0.303983D+00 -0.498729D+00  0.479777D+01 -0.142835D+01
      3  -0.303983D+00  0.153819D+01 -0.980479D-03 -0.142835D+01 -0.158877D+01
                61            62            63            64            65 
      1  -0.571728D-01 -0.766395D+00  0.903552D+00 -0.620429D+01  0.235653D+01
      2  -0.766395D+00 -0.415824D+00 -0.477501D+00  0.235653D+01 -0.169789D+01
      3   0.903552D+00 -0.477501D+00 -0.357441D+01  0.292048D+01 -0.135027D+01
                66            67            68            69            70 
      1   0.292048D+01  0.368930D+01 -0.210216D+01 -0.105329D+01  0.551062D+01
      2  -0.135027D+01 -0.210216D+01  0.389140D+01  0.189802D+01 -0.972466D+00
      3  -0.185354D+01 -0.105329D+01  0.189802D+01  0.176685D+01 -0.289749D+01
                71            72            73            74            75 
      1  -0.972466D+00 -0.289749D+01  0.539424D+00 -0.805295D+00 -0.112964D+01
      2   0.237013D+01  0.216320D+01 -0.805295D+00  0.462661D+00  0.863054D-02
      3   0.216320D+01  0.614990D+01 -0.112964D+01  0.863054D-02  0.246666D+00
                76            77            78            79            80 
      1  -0.127095D+01  0.228968D+00  0.503879D-01 -0.128181D+01 -0.738865D-01
      2   0.228968D+00 -0.198323D+00 -0.127866D+01 -0.738865D-01 -0.160647D+01
      3   0.503879D-01 -0.127866D+01 -0.766656D+00  0.966235D-01 -0.821440D+00
                81            82            83            84            85 
      1   0.966235D-01 -0.143755D+01 -0.106292D+01 -0.105685D+01 -0.107583D+01
      2  -0.821440D+00 -0.106292D+01 -0.156631D+01 -0.179325D+00 -0.137240D+01
      3  -0.907655D+01 -0.105685D+01 -0.179325D+00 -0.451338D+00 -0.108768D+00
                86            87            88            89            90 
      1  -0.137240D+01 -0.108768D+00 -0.134122D+01 -0.174139D+00 -0.209502D+00
      2  -0.798826D+01 -0.166089D+01 -0.174139D+00 -0.181109D+01 -0.161773D+01
      3  -0.166089D+01 -0.160911D+01 -0.209502D+00 -0.161773D+01 -0.585584D+00
                91            92            93            94            95 
      1  -0.702235D+01 -0.330995D+01  0.241813D+00 -0.203872D+01 -0.170007D+01
      2  -0.330995D+01 -0.264524D+01  0.200048D-01 -0.170007D+01 -0.205051D+01
      3   0.241813D+00  0.200048D-01 -0.105025D+01  0.159760D+00  0.368766D-01
                96            97            98            99           100 
      1   0.159760D+00  0.240480D+01  0.129678D+01 -0.939742D+00 -0.105925D+01
      2   0.368766D-01  0.129678D+01  0.104989D+01 -0.525100D+00  0.196428D+00
      3  -0.532313D+00 -0.939742D+00 -0.525100D+00  0.344499D+00  0.517596D+00
               101           102           103           104           105 
      1   0.196428D+00  0.517596D+00  0.481167D+00 -0.327357D+00 -0.106294D+00
      2  -0.133999D+01 -0.224970D+00 -0.327357D+00  0.146047D+01  0.860125D+00
      3  -0.224970D+00 -0.183297D+01 -0.106294D+00  0.860125D+00  0.187486D+01
               106           107           108           109           110 
      1   0.147041D+01 -0.822336D-01 -0.975874D+00  0.575347D+01  0.218551D+01
      2  -0.822336D-01  0.211987D+01  0.179141D+01  0.218551D+01  0.248057D+01
      3  -0.975874D+00  0.179141D+01  0.390954D+01 -0.371300D+00  0.163559D+00
               111           112           113           114           115 
      1  -0.371300D+00  0.228372D+01  0.118046D+01  0.359979D+00 -0.782592D+00
      2   0.163559D+00  0.118046D+01  0.179574D+01 -0.304884D-01  0.354702D+00
      3   0.660703D+00  0.359979D+00 -0.304884D-01  0.743211D+00  0.258287D+00
               116           117           118           119           120 
      1   0.354702D+00  0.258287D+00  0.937450D+00  0.749941D+00  0.117290D+01
      2  -0.427517D+00  0.556735D+00  0.749941D+00  0.138759D+01  0.584286D+00
      3   0.556735D+00 -0.360808D+00  0.117290D+01  0.584286D+00  0.826868D+00
               121           122           123           124           125 
      1   0.133734D+01  0.129014D+01  0.881134D+00  0.875077D+00  0.474406D+00
      2   0.129014D+01  0.517779D+01  0.197930D+01  0.474406D+00  0.163055D+01
      3   0.881134D+00  0.197930D+01  0.293204D+01  0.460944D+00  0.156854D+01
               126           127           128           129           130 
      1   0.460944D+00 -0.540208D+01 -0.124339D+01  0.236256D+01 -0.118203D+01
      2   0.156854D+01 -0.124339D+01 -0.102350D+01  0.909640D+00 -0.630758D+00
      3   0.173614D+01  0.236256D+01  0.909640D+00 -0.327633D+01  0.568681D+00
               131           132           133           134           135 
      1  -0.630758D+00  0.568681D+00  0.176310D+01  0.585553D+00 -0.207046D+01
      2  -0.722881D+00  0.123871D+01  0.585553D+00  0.931983D+00 -0.750181D+00
      3   0.123871D+01 -0.102101D+01 -0.207046D+01 -0.750181D+00  0.267431D+01
               136           137           138           139           140 
      1   0.403870D+01 -0.262124D+01  0.258831D+01 -0.284561D+01  0.262202D+01
      2  -0.262124D+01  0.256733D+01 -0.140271D+01  0.262202D+01 -0.339098D+01
      3   0.258831D+01 -0.140271D+01  0.234512D+01 -0.145954D+01  0.236909D+01
               141           142           143           144           145 
      1  -0.145954D+01  0.152728D+01 -0.925015D+00  0.157430D+01  0.126519D+00
      2   0.236909D+01 -0.925015D+00  0.154436D+01 -0.157747D+01 -0.233255D+00
      3  -0.242935D+01  0.157430D+01 -0.157747D+01  0.203684D+01 -0.799989D+00
               146           147           148           149           150 
      1  -0.233255D+00 -0.799989D+00 -0.508535D+00  0.740863D+00  0.625931D-01
      2   0.256480D+00  0.722906D-02  0.740863D+00 -0.102011D-02 -0.976223D+00
      3   0.722906D-02 -0.381118D-01  0.625931D-01 -0.976223D+00 -0.410007D+00
               151           152           153           154           155 
      1  -0.187307D+01  0.122411D+00  0.189965D+01  0.234546D+01  0.157611D+01
      2   0.122411D+00 -0.106949D+01 -0.342349D+00  0.157611D+01  0.210152D+01
      3   0.189965D+01 -0.342349D+00 -0.981209D+01  0.469281D+00  0.832418D-01
               156           157           158           159           160 
      1   0.469281D+00  0.298738D+01  0.251390D+01 -0.125072D+00  0.145406D+01
      2   0.832418D-01  0.251390D+01  0.554427D+01  0.585926D+00  0.351492D+00
      3   0.437554D+00 -0.125072D+00  0.585926D+00  0.125117D+01  0.568693D+00
               161           162           163           164           165 
      1   0.351492D+00  0.568693D+00  0.641688D+01 -0.318924D+01  0.741724D+00
      2   0.126684D+01  0.854798D+00 -0.318924D+01  0.266656D+01 -0.305683D+00
      3   0.854798D+00 -0.625682D-01  0.741724D+00 -0.305683D+00  0.889794D+00
               166           167           168           169           170 
      1  -0.475135D+01  0.346721D+01 -0.180453D+00  0.252304D+01 -0.810058D+00
      2   0.346721D+01 -0.318928D+01  0.616557D+00 -0.810058D+00  0.112755D+01
      3  -0.180453D+00  0.616557D+00 -0.117616D+01  0.107931D+01 -0.859075D+00
               171 
      1   0.107931D+01
      2  -0.859075D+00
      3   0.758928D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.354423D+01  0.374335D+01  0.445533D+00  0.479901D+01  0.144664D+01
      2  -0.914387D+01  0.233968D+01  0.105160D+01  0.345448D+01 -0.963681D+01
      3  -0.704912D+01  0.927200D+01  0.124927D+01  0.173390D+02  0.104982D+02
                 6             7             8             9            10 
      1  -0.568064D+00  0.611877D+00  0.345433D+01  0.144451D+01  0.351339D+01
      2   0.984043D+00 -0.888459D+01  0.126572D+01  0.218964D+02  0.760045D+01
      3   0.443052D+01 -0.815111D+00  0.673240D+01 -0.112559D+01  0.100845D+01
                11            12            13            14            15 
      1  -0.786425D+00  0.573213D-01 -0.771095D+00  0.419182D+01 -0.510669D+01
      2  -0.138283D+01  0.431309D+01 -0.415890D+01  0.449687D+01 -0.390081D+00
      3  -0.440008D+01 -0.185524D+01  0.158482D+01 -0.115811D+02 -0.340680D+01
                16            17            18            19            20 
      1  -0.677081D+00  0.197263D+01 -0.279090D+01 -0.285434D+01 -0.387636D+00
      2  -0.258043D+01  0.959768D+00 -0.540092D+01 -0.158629D+01  0.221514D+01
      3  -0.959610D+00 -0.289244D+01 -0.787291D+00  0.757566D+01 -0.594148D+01
                21            22            23            24            25 
      1  -0.123884D+01  0.201206D+01  0.167893D+00  0.230774D+01 -0.298558D+01
      2   0.215868D+01  0.597842D+01 -0.179497D+01  0.253818D+01 -0.763831D+01
      3   0.782184D+00  0.167647D+01  0.568836D+00 -0.661673D+00 -0.222633D+01
                26            27            28            29            30 
      1   0.511134D+01 -0.253827D+01  0.156221D+01  0.333871D+01  0.191134D+01
      2   0.116817D+01 -0.176156D+01 -0.648612D+01 -0.124376D+01 -0.480197D+01
      3   0.158772D+01  0.458892D+00 -0.104263D+02  0.215231D+01 -0.194271D+01
                31            32            33            34            35 
      1   0.100339D+00 -0.790847D+01 -0.740725D+00  0.116741D+01  0.223512D+01
      2   0.326509D+01  0.211600D+01  0.315635D+00 -0.105586D+02  0.157818D+00
      3   0.483258D+01  0.381948D+01 -0.242400D+01 -0.583268D+01 -0.664554D+01
                36            37            38            39            40 
      1   0.656992D+01 -0.300332D+01 -0.782438D+00 -0.486583D+00  0.677465D-02
      2   0.892406D+01  0.606590D+01  0.282106D+01  0.996755D+00 -0.270893D+01
      3  -0.220576D+01 -0.139890D+01 -0.123827D+01  0.805556D+00  0.480054D+01
                41            42            43            44            45 
      1   0.233415D+01 -0.435572D+01  0.263767D+01  0.343800D+01 -0.294579D+01
      2   0.238335D+01  0.201956D+01 -0.495817D+01  0.158456D+01  0.574883D+01
      3  -0.776472D+01 -0.227130D+01  0.248406D+01 -0.208411D+01 -0.289183D+01
                46            47            48            49            50 
      1   0.291005D+01 -0.603123D+01  0.466357D+00 -0.648195D+01 -0.774852D+01
      2  -0.102741D+02 -0.642798D+01  0.137763D+02 -0.469014D+01  0.163941D+01
      3  -0.528703D+01  0.101802D+00  0.236565D+01  0.475244D+01  0.581654D+01
                51            52            53            54            55 
      1  -0.104082D+02 -0.150576D+00 -0.398825D+01  0.298884D+01  0.120834D+01
      2   0.646645D-03  0.612455D+01  0.295235D+00  0.252112D+01 -0.218706D+01
      3   0.436272D+01  0.219136D+01  0.358565D+01  0.474370D-01 -0.133222D+02
                56            57            58            59            60 
      1   0.281824D+01 -0.344270D+01  0.746999D+00 -0.289532D+01 -0.304994D+01
      2   0.260311D+00  0.258182D+01 -0.745535D+00 -0.276034D+00 -0.147256D+01
      3  -0.720744D+01 -0.554995D+00  0.465982D+01 -0.515313D+00  0.443799D+00
                61            62            63            64            65 
      1  -0.248939D+01  0.710845D+01  0.974697D+01 -0.651669D+00 -0.288125D+01
      2  -0.212644D+01 -0.302481D+00  0.995001D+00 -0.172430D+01  0.234108D+01
      3  -0.213100D+01 -0.209315D+01  0.389478D+01  0.277181D+01 -0.804318D+01
                66            67            68            69            70 
      1   0.109647D+01  0.729919D+00  0.264980D+01 -0.315596D+01 -0.408929D+00
      2   0.924733D+01  0.963559D+00 -0.507188D+01 -0.328672D+01  0.156877D+01
      3  -0.759215D+00  0.417457D+00  0.606261D+01  0.392763D+01  0.387957D+01
                71            72            73            74            75 
      1   0.490386D+01 -0.228237D+01  0.601580D+00 -0.374644D+00  0.301976D+00
      2  -0.341912D+01 -0.138318D+02  0.731626D+00 -0.708995D+00 -0.280798D+00
      3   0.713879D+01  0.360343D+01 -0.176722D+00 -0.152527D+00 -0.476302D+00
                76            77            78            79            80 
      1  -0.533292D+00  0.775513D+00 -0.102902D-01  0.450132D+00  0.360010D+01
      2  -0.112099D+01  0.165049D+00 -0.360181D+00 -0.418873D+01 -0.253997D-01
      3   0.161031D+01 -0.111258D+00 -0.284145D+00  0.515283D+00 -0.209281D+00
                81            82            83            84            85 
      1   0.189603D+01 -0.125719D+01 -0.327987D-01 -0.658083D+00 -0.219726D+00
      2   0.574857D+00 -0.176539D+01 -0.321128D+00  0.116462D+00 -0.533640D+00
      3  -0.163404D+00  0.397742D+01  0.170667D+01  0.124236D+01  0.571948D+01
                86            87            88            89            90 
      1   0.161341D+00 -0.395981D+01 -0.887798D-01  0.285441D+00 -0.442595D+00
      2  -0.164804D+01 -0.132206D+01 -0.207866D+01 -0.175754D+01 -0.519753D+00
      3   0.923025D+01  0.203010D+01  0.207507D+01  0.199784D+01  0.195230D+01
                91            92            93            94            95 
      1   0.327489D+01  0.195523D+01 -0.169244D+01  0.182960D+01  0.167154D+01
      2  -0.539296D+01 -0.290145D+01  0.340784D+01 -0.228983D+01 -0.168522D+01
      3   0.211093D+01 -0.295496D+01 -0.574847D+00  0.268426D+00 -0.164854D+01
                96            97            98            99           100 
      1  -0.815428D+00 -0.180202D+01 -0.714436D+00  0.116456D+01 -0.164530D+01
      2   0.138751D+01  0.283795D+01  0.154987D+01 -0.228144D+01  0.507896D+00
      3   0.234856D+00 -0.175730D+00  0.150979D+01 -0.244987D+00 -0.236933D+01
               101           102           103           104           105 
      1  -0.193831D+00  0.462034D+01 -0.131835D+00 -0.179980D+01 -0.501434D+01
      2   0.371580D+00  0.799167D-01  0.300615D+00  0.845902D-01  0.491999D-01
      3  -0.759154D+00  0.151088D+01  0.689358D+00 -0.823863D+00 -0.126527D+00
               106           107           108           109           110 
      1   0.268496D+01 -0.292105D+01 -0.117882D+02 -0.618964D+00 -0.164722D+01
      2  -0.210671D+01  0.238989D+00 -0.107686D+01  0.244875D+01  0.432006D+00
      3   0.460037D+01 -0.285878D+00 -0.316794D+01  0.166696D+02  0.158402D+01
               111           112           113           114           115 
      1  -0.240351D+01 -0.148026D+01 -0.731082D+00 -0.148070D+01 -0.485897D+00
      2   0.185733D+01  0.639602D+00  0.399837D+00  0.108231D+01 -0.868649D+00
      3  -0.351365D+00  0.459788D+01  0.203978D+01  0.946905D+00 -0.145033D+01
               116           117           118           119           120 
      1   0.200547D+00 -0.503238D+00  0.219102D+01  0.303268D+01  0.133267D+01
      2   0.440287D+00  0.889420D-01  0.213133D+00 -0.593027D+00  0.272131D+00
      3   0.772566D+00  0.125305D+00 -0.866890D+00 -0.293901D+01 -0.126002D+01
               121           122           123           124           125 
      1   0.260077D+01  0.138588D+02  0.290971D+01  0.169225D+01  0.506914D+01
      2  -0.236775D+01  0.241922D+00  0.307364D+01 -0.233413D+01  0.922436D+00
      3   0.112687D+00 -0.848199D+01 -0.243336D+01 -0.741448D+00 -0.181541D+01
               126           127           128           129           130 
      1   0.367574D+01 -0.331550D+00 -0.238804D+01 -0.126964D+01 -0.972099D+00
      2   0.134086D+01  0.166910D+02  0.319724D+01 -0.584260D+01  0.277403D+01
      3  -0.247769D+01  0.594167D+01  0.129496D+00 -0.195835D+01  0.246490D+01
               131           132           133           134           135 
      1  -0.427206D-01  0.480237D+00 -0.440076D+00  0.254444D+01  0.517359D+00
      2   0.246674D+01 -0.186363D+01 -0.764975D+01 -0.212036D+01  0.603738D+01
      3   0.859120D+00 -0.167475D+01 -0.170091D+01 -0.563038D+00  0.222648D+01
               136           137           138           139           140 
      1  -0.276002D+01  0.464140D+01  0.310481D+00  0.371772D+01 -0.480747D+01
      2  -0.423561D+01  0.276664D+01  0.786367D+00  0.397577D+01 -0.145265D+01
      3  -0.187059D+00 -0.316533D+01  0.163432D+00  0.202198D+00  0.338757D+01
               141           142           143           144           145 
      1   0.662643D+00 -0.725362D+00  0.293576D+01 -0.726609D+00 -0.197347D+00
      2  -0.154786D+01 -0.279508D+01  0.396116D-01  0.463439D+00 -0.256904D+01
      3  -0.215339D+01 -0.539561D+00 -0.195704D+01  0.900851D+00  0.811603D+00
               146           147           148           149           150 
      1  -0.170689D+00 -0.446009D-01 -0.558499D+00 -0.412947D+00 -0.177757D+00
      2  -0.135391D+00  0.360753D+00 -0.346076D+00 -0.141789D+01 -0.933600D+00
      3  -0.138684D+01  0.328187D+00 -0.944188D+00 -0.668068D+00  0.218256D+01
               151           152           153           154           155 
      1   0.462544D+00  0.380904D+01 -0.291932D+01 -0.117160D+01 -0.181302D+01
      2  -0.484646D+00 -0.774840D+00 -0.245338D+02  0.297234D+01  0.169752D+01
      3   0.495322D+00  0.304245D+01  0.446436D+00 -0.477128D+01 -0.705638D+01
               156           157           158           159           160 
      1  -0.887405D+00 -0.189859D+01 -0.420287D+01 -0.258089D+01 -0.326525D+00
      2   0.255088D+01  0.159121D+01  0.440171D+01  0.446582D+01  0.121425D+01
      3  -0.455933D+00 -0.482290D+01 -0.190205D+02 -0.232527D+01 -0.619068D+00
               161           162           163           164           165 
      1   0.226979D+00 -0.100334D+01  0.277405D+01 -0.204039D+01  0.158131D+01
      2   0.258837D+01  0.552481D+00  0.691099D+01 -0.375985D+01  0.528139D+01
      3  -0.428293D+01 -0.239002D+01  0.506547D+01 -0.856987D+01  0.774560D+00
               166           167           168           169           170 
      1  -0.227325D+01  0.232389D+01 -0.284910D+01  0.795684D+00 -0.403212D+00
      2  -0.398099D+01  0.458800D+01 -0.473986D+01  0.348085D+01 -0.273223D+01
      3  -0.593477D+01  0.825408D+01 -0.201987D+01  0.950729D+00 -0.353840D+01
               171 
      1   0.903575D+00
      2   0.148478D+01
      3   0.179858D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.878508D+00  0.130651D+02 -0.183646D+02  0.148237D+02 -0.286964D+02
      2  -0.634891D+01 -0.440156D+01  0.843703D+01 -0.505044D+01  0.867077D+01
      3   0.722742D+01 -0.866352D+01  0.992754D+01 -0.977323D+01  0.200257D+02
      4   0.163440D+02 -0.251382D+02  0.299458D+01 -0.332203D+02 -0.106533D+02
      5  -0.192311D+02 -0.671171D+00  0.641405D+01 -0.163985D+01 -0.815044D+01
      6   0.553505D+00  0.313947D+01 -0.877609D+00  0.267878D+01  0.404508D+01
                 6             7             8             9            10 
      1  -0.253831D+00 -0.230107D+02  0.246311D+01  0.137422D+02 -0.985527D+01
      2   0.148316D+01  0.744023D+01  0.330482D+00  0.888987D+01  0.579586D+00
      3  -0.122933D+01  0.155705D+02 -0.279359D+01 -0.226320D+02  0.927568D+01
      4  -0.104066D+02  0.510025D+01 -0.134830D+02  0.236838D+01 -0.569716D+01
      5   0.146625D+01  0.269594D+01  0.163837D+01  0.316653D+02  0.156997D+02
      6   0.165555D+01  0.344749D+00  0.192999D+01 -0.755417D+01 -0.471882D+01
                11            12            13            14            15 
      1  -0.281528D+01  0.139662D+02 -0.367733D+01  0.200504D+02  0.388983D+01
      2   0.301929D-01 -0.960506D+01  0.573466D+00 -0.238298D+02 -0.598952D+01
      3   0.278509D+01 -0.436116D+01  0.310386D+01  0.377937D+01  0.209970D+01
      4   0.905404D+01 -0.267295D+01  0.181297D+02  0.315110D+01  0.488999D+01
      5   0.347428D+00 -0.255155D+01  0.577845D+00  0.503327D+01 -0.427677D+00
      6  -0.351576D+00  0.332883D+00  0.228000D+00 -0.915184D+01  0.319091D+01
                16            17            18            19            20 
      1   0.179089D+02  0.122404D+01  0.265323D+01 -0.513060D+01 -0.372870D+00
      2  -0.901811D+01 -0.419296D+01 -0.153235D+01  0.852917D+01 -0.423657D+01
      3  -0.889081D+01  0.296892D+01 -0.112088D+01 -0.339856D+01  0.460944D+01
      4  -0.440881D+01  0.575196D+01  0.119657D+01 -0.111319D+01 -0.152032D+01
      5  -0.174607D+01  0.139954D+01 -0.126609D+02 -0.460272D+01 -0.938181D+00
      6  -0.276760D+00 -0.262168D+01  0.453740D+01  0.674900D+00  0.861303D+00
                21            22            23            24            25 
      1  -0.228968D+01  0.437172D+01  0.337167D+00  0.139559D+01 -0.773900D+01
      2   0.431309D+01 -0.532405D+01 -0.146033D+01  0.341936D+01  0.447160D+01
      3  -0.202341D+01  0.952329D+00  0.112317D+01 -0.481496D+01  0.326740D+01
      4   0.825563D+00 -0.112641D+02  0.426539D+01 -0.186803D+01  0.311811D+01
      5   0.151937D+01  0.833515D+00  0.822327D+00  0.471603D+01  0.235349D+01
      6  -0.438230D+00 -0.252738D+01  0.417242D+01 -0.696886D+01 -0.855510D+00
                26            27            28            29            30 
      1   0.770743D+01  0.860669D+01 -0.746586D+01  0.943724D+01 -0.615647D+00
      2  -0.452624D+01  0.176581D+02  0.336552D+01 -0.712440D+01 -0.339679D+01
      3  -0.318119D+01 -0.262648D+02  0.410034D+01 -0.231284D+01  0.401244D+01
      4   0.100378D+00 -0.154949D+01  0.798090D+01 -0.783643D+01 -0.754784D+01
      5  -0.526204D+00 -0.329141D-02  0.751955D+01 -0.713422D+01 -0.115071D+02
      6   0.513944D+01 -0.149794D+01 -0.510099D+01  0.185451D+01 -0.250049D+01
                31            32            33            34            35 
      1   0.111683D+02  0.222997D+01 -0.426887D+01  0.126618D+02 -0.371713D+01
      2  -0.640442D+01 -0.478780D+01  0.794198D+01 -0.736463D+01 -0.224160D+01
      3  -0.476386D+01  0.255783D+01 -0.367311D+01 -0.529712D+01  0.595874D+01
      4  -0.517080D+01 -0.258373D+01  0.161134D+00 -0.113131D+02  0.720921D+01
      5  -0.146621D+02  0.107316D+01 -0.237562D+01 -0.988930D+01  0.149661D+01
      6  -0.245012D+01 -0.562958D+01 -0.162774D+01 -0.120748D+01 -0.128920D+01
                36            37            38            39            40 
      1  -0.710442D+01 -0.144034D+02 -0.669009D+01  0.761449D+01 -0.541957D+01
      2   0.502146D+01  0.224129D+01  0.284118D+01 -0.460538D+01  0.236078D+01
      3   0.208296D+01  0.121621D+02  0.384891D+01 -0.300911D+01  0.305880D+01
      4   0.387122D+01 -0.125754D+02 -0.262294D+01  0.595180D+01  0.590109D+01
      5   0.149187D+02  0.756474D+01  0.344807D+01  0.747413D+01  0.731741D+01
      6  -0.527001D+01  0.529462D+01  0.201609D+01  0.145468D+01  0.548546D+01
                41            42            43            44            45 
      1  -0.142271D+02 -0.908061D+00  0.121861D+02  0.131078D+01 -0.424572D+01
      2   0.198021D+02  0.402872D+00 -0.507368D+01  0.214283D+01 -0.372806D+01
      3  -0.557502D+01  0.505189D+00 -0.711241D+01 -0.345360D+01  0.797378D+01
      4   0.150229D+02  0.721003D+01  0.131946D+02  0.106275D+02  0.529558D+01
      5   0.730161D+01  0.716409D+01  0.115793D+02  0.815643D+01  0.145189D+02
      6   0.834346D+01  0.921694D+01  0.330154D+01  0.989163D+01  0.877922D+01
                46            47            48            49            50 
      1   0.126738D+02  0.686790D+01 -0.112552D+02  0.568596D+01 -0.414647D+01
      2  -0.987816D+00  0.106241D+00  0.316349D+01  0.307001D+00  0.101857D+02
      3  -0.116860D+02 -0.697414D+01  0.809173D+01 -0.599296D+01 -0.603924D+01
      4   0.631813D+01 -0.149021D+02  0.908965D+01 -0.164338D+02 -0.192234D+01
      5  -0.590021D+01  0.107052D+02 -0.124287D+02  0.886541D+01 -0.197093D+02
      6   0.166371D+02 -0.118731D+02 -0.101606D+00 -0.131936D+02 -0.499993D+01
                51            52            53            54            55 
      1   0.873657D+00 -0.103955D+02 -0.659548D+00 -0.757386D+01  0.147058D+01
      2   0.343957D+01  0.240779D+01  0.283978D+01 -0.599259D+01 -0.315602D+01
      3  -0.431323D+01  0.798770D+01 -0.218023D+01  0.135665D+02  0.168544D+01
      4  -0.122550D+02  0.712124D+01 -0.875415D+01 -0.133977D+00 -0.183374D+02
      5   0.118888D+01 -0.125212D+02 -0.814803D+00  0.107588D+02  0.582643D+01
      6  -0.148921D+02 -0.344196D+00 -0.111478D+02 -0.763842D+00 -0.168333D+01
                56            57            58            59            60 
      1  -0.234333D+01  0.260722D+01 -0.337516D+01 -0.225235D+02  0.304479D+01
      2  -0.812756D+00 -0.255075D+01  0.129302D+01  0.343683D+02 -0.569015D+01
      3   0.315609D+01 -0.564697D-01  0.208214D+01 -0.118448D+02  0.264536D+01
      4  -0.141806D+00 -0.278728D+01  0.276655D+01 -0.404185D+01  0.250908D+00
      5  -0.178903D+01  0.444991D+01 -0.401586D+00 -0.546797D+00 -0.319699D+01
      6  -0.222209D+01  0.514583D+01  0.455824D+00 -0.679952D+01  0.638993D+01
                61            62            63            64            65 
      1   0.130579D+01  0.464859D+01 -0.119014D+01  0.344518D+02 -0.943878D+01
      2  -0.410947D+01 -0.949371D+00 -0.611123D+01 -0.187519D+02  0.400115D+01
      3   0.280368D+01 -0.369922D+01  0.730137D+01 -0.156999D+02  0.543763D+01
      4  -0.220112D+01 -0.104287D+01  0.337265D+01 -0.146832D+02  0.166705D+02
      5   0.337515D+01 -0.161305D+00  0.161984D+01 -0.171540D+02  0.766372D+01
      6   0.311801D+01  0.156913D+01 -0.173315D+02  0.254781D+01 -0.293757D+01
                66            67            68            69            70 
      1  -0.908055D+01 -0.116628D+02  0.178619D+01  0.112855D+01 -0.135051D+02
      2   0.936471D+01  0.462254D+01  0.449422D+01 -0.200845D+01  0.948024D+01
      3  -0.284163D+00  0.704024D+01 -0.628041D+01  0.879894D+00  0.402488D+01
      4   0.764302D+01  0.162624D+02 -0.161313D+02 -0.935598D+01  0.607308D+01
      5   0.192020D+02  0.697571D+01 -0.966086D+01 -0.669996D+01  0.212377D+02
      6  -0.174290D+01 -0.427234D+01  0.308178D+01  0.740079D+01 -0.335232D+01
                71            72            73            74            75 
      1   0.470578D+00  0.233910D+01  0.108845D+01  0.165183D+00  0.163236D-01
      2  -0.478396D+00 -0.144685D+02 -0.519670D+01  0.620270D+00 -0.780148D-01
      3   0.781756D-02  0.121294D+02  0.410824D+01 -0.785453D+00  0.616911D-01
      4  -0.126305D+02 -0.107478D+02 -0.254627D+00  0.164589D+01 -0.370277D+00
      5  -0.912264D+01 -0.291958D+02  0.124859D+00  0.415345D+00  0.643099D+01
      6   0.700947D+01  0.401770D+01 -0.159516D+00  0.373009D+00 -0.398105D+00
                76            77            78            79            80 
      1   0.826217D+00 -0.367790D+01 -0.991926D+00  0.921562D+00 -0.327218D-01
      2   0.320032D+00 -0.878131D+00 -0.278165D+01  0.966591D-01 -0.438404D+01
      3  -0.114625D+01  0.455603D+01  0.377357D+01 -0.101822D+01  0.441677D+01
      4   0.238300D+01 -0.226538D+00  0.487739D+00 -0.993670D-02  0.103372D+00
      5   0.448919D+00 -0.289908D-01 -0.569828D+00  0.538082D+01  0.925727D-01
      6   0.765709D+00  0.423258D+00  0.731902D+01  0.639291D+00  0.493190D+01
                81            82            83            84            85 
      1  -0.199869D+02 -0.777079D+00 -0.379814D+01 -0.267132D+01 -0.540554D+01
      2  -0.198516D+02  0.444825D+01  0.510074D+01  0.239048D+01  0.584238D+01
      3   0.398385D+02 -0.367117D+01 -0.130260D+01  0.280847D+00 -0.436836D+00
      4   0.104205D+01  0.117627D+01  0.415135D+01  0.103334D+01  0.257715D+01
      5   0.790589D+00 -0.146833D+01  0.832376D+00  0.121188D+01  0.110537D+01
      6  -0.136889D+01  0.200232D+01  0.186951D+01  0.852365D+00  0.136169D+01
                86            87            88            89            90 
      1  -0.202618D+02 -0.280576D+01 -0.406852D+01 -0.423974D+01 -0.517408D+01
      2   0.321557D+02  0.580242D+01  0.267779D+01  0.457775D+01  0.327529D+01
      3  -0.118939D+02 -0.299666D+01  0.139073D+01 -0.338005D+00  0.189879D+01
      4  -0.968796D+01 -0.205941D+01  0.463390D+00 -0.222852D+01 -0.165772D+01
      5  -0.222763D+01 -0.318291D+01  0.236876D+01 -0.217492D+01 -0.563287D-01
      6   0.853989D+01  0.690144D+01  0.158283D+01  0.913462D+01  0.448291D+01
                91            92            93            94            95 
      1   0.340068D+02  0.130738D+02 -0.217727D+01  0.570245D+01  0.455917D+01
      2  -0.117067D+02 -0.224099D+01  0.515468D-01  0.967217D+00  0.222790D+01
      3  -0.223001D+02 -0.108328D+02  0.212573D+01 -0.666966D+01 -0.678707D+01
      4   0.254086D+02  0.166306D+02 -0.811002D+00  0.120924D+02  0.111548D+02
      5   0.267726D+01  0.152905D+01  0.465281D+01  0.522295D+00  0.659706D+00
      6  -0.943955D+00  0.253051D+00  0.208255D+01  0.335900D+00  0.212617D+00
                96            97            98            99           100 
      1  -0.435011D+00 -0.103642D+02 -0.451693D+01  0.324137D+01  0.645358D-02
      2  -0.315687D+00  0.311616D+01  0.296361D+00 -0.128634D+01  0.242891D+00
      3   0.750698D+00  0.724800D+01  0.422057D+01 -0.195503D+01 -0.249345D+00
      4  -0.590484D+00 -0.905907D+01 -0.639905D+01  0.392968D+01 -0.151880D+01
      5   0.177449D+01  0.496834D+01  0.249299D+01 -0.188549D+01 -0.925195D+00
      6   0.166820D+01  0.312990D+01  0.223031D+01 -0.153118D+01  0.239267D+01
               101           102           103           104           105 
      1   0.324364D+01 -0.325975D+00  0.109116D+01 -0.403655D+01 -0.251286D+01
      2  -0.476833D+01 -0.879697D+00 -0.147787D+01  0.593700D+01  0.337876D+01
      3   0.152470D+01  0.120567D+01  0.386710D+00 -0.190045D+01 -0.865897D+00
      4   0.230452D+01  0.168816D+01  0.270236D+01 -0.123356D+01 -0.587233D+00
      5   0.247014D+00  0.670570D+00  0.393186D+00 -0.559050D+00  0.310159D+00
      6   0.579920D+00 -0.669291D+01 -0.535083D+00  0.322541D+01  0.945844D+01
               106           107           108           109           110 
      1   0.867673D+00 -0.662034D+01 -0.771971D+01  0.575591D+01 -0.221396D+01
      2  -0.942102D-01  0.800415D+01  0.523692D+01  0.380662D+01  0.852934D+01
      3  -0.773463D+00 -0.138381D+01  0.248279D+01 -0.956253D+01 -0.631538D+01
      4   0.397989D+01 -0.746436D+00 -0.362075D+01  0.210451D+02  0.131085D+02
      5   0.133629D+01 -0.578158D+00 -0.462105D+00 -0.417380D+01 -0.764933D+00
      6  -0.461250D+01  0.999106D+01  0.164519D+02 -0.189203D+01 -0.270378D+00
               111           112           113           114           115 
      1  -0.127969D+01  0.783515D+00 -0.956044D+00  0.338544D+00 -0.197330D+01
      2   0.134674D+01  0.374275D+01  0.581267D+01 -0.350522D+00  0.259712D+01
      3  -0.670564D-01 -0.452627D+01 -0.485662D+01  0.119779D-01 -0.623824D+00
      4  -0.857664D+00  0.120233D+02  0.725046D+01  0.168126D+01 -0.130696D+01
      5   0.246240D+01 -0.303421D+00 -0.809528D-01  0.138145D+01  0.322290D+01
      6   0.285981D+01  0.115361D+01 -0.358902D+00  0.306294D+01  0.802385D+00
               116           117           118           119           120 
      1   0.506986D+00 -0.850773D+00  0.221168D+01  0.230629D+01  0.186448D+01
      2   0.345571D+00  0.610525D+00 -0.321969D+01 -0.279711D+01 -0.320984D+01
      3  -0.852557D+00  0.240248D+00  0.100801D+01  0.490823D+00  0.134536D+01
      4   0.148416D+01  0.117270D+01  0.367197D+01  0.707126D+01  0.147460D+01
      5   0.556640D+00 -0.854848D+00  0.616916D+01  0.423614D+01  0.774194D+01
      6   0.356407D+01 -0.574685D+00  0.208210D+01  0.562621D+01  0.219758D+01
               121           122           123           124           125 
      1   0.364187D+01 -0.301673D+01 -0.472370D+01  0.943562D+00 -0.290137D+01
      2  -0.417797D+01 -0.411154D+00 -0.667288D+01 -0.220134D+01 -0.391874D+01
      3   0.536104D+00  0.342789D+01  0.113966D+02  0.125778D+01  0.682011D+01
      4   0.677889D+01  0.137077D+02  0.678403D+01  0.828462D+00  0.478044D+01
      5   0.720770D+01  0.108945D+02  0.104090D+02  0.602425D+01  0.596000D+01
      6   0.588446D+01  0.187576D+02  0.104941D+02  0.240738D+01  0.101053D+02
               126           127           128           129           130 
      1  -0.430058D+01 -0.936605D+01 -0.561137D+01  0.129188D+02 -0.439590D+01
      2  -0.420487D+01  0.340670D+00  0.235252D+01  0.262328D+01  0.229464D+01
      3   0.850545D+01  0.902538D+01  0.325885D+01 -0.155421D+02  0.210127D+01
      4   0.430747D+01  0.592447D+01  0.361206D+01 -0.358473D+01  0.434059D+01
      5   0.652975D+01 -0.135586D+02 -0.389042D+01  0.607302D+01 -0.373192D+01
      6   0.688053D+01 -0.735698D+01 -0.568048D+01  0.722835D+01 -0.368344D+01
               131           132           133           134           135 
      1  -0.452756D+01  0.404847D+01  0.964273D+01  0.371285D+01 -0.114466D+02
      2   0.201745D+01 -0.114908D+01  0.188883D+01 -0.643684D+00 -0.437167D+01
      3   0.251012D+01 -0.289939D+01 -0.115316D+02 -0.306916D+01  0.158183D+02
      4   0.162482D+01  0.428294D+00 -0.252890D+01 -0.120378D+00  0.232752D+01
      5   0.411503D-01  0.893741D+00  0.787313D+01  0.165730D+01 -0.554615D+01
      6  -0.412552D+01  0.717584D+01  0.482312D+01  0.621041D+01 -0.622754D+01
               136           137           138           139           140 
      1   0.117084D+02 -0.438598D+01  0.238264D+01 -0.481138D+01 -0.219894D+01
      2  -0.766266D+01  0.386351D+00 -0.595722D+01  0.316693D+00  0.567519D+01
      3  -0.404576D+01  0.399963D+01  0.357458D+01  0.449468D+01 -0.347626D+01
      4  -0.159881D+02  0.146332D+02 -0.884441D+01  0.154057D+02 -0.163441D+02
      5   0.201078D+02 -0.123375D+02  0.168925D+02 -0.131896D+02  0.138925D+02
      6  -0.118571D+02  0.117441D+02 -0.895627D+01  0.113969D+02 -0.156714D+02
               141           142           143           144           145 
      1   0.336683D+01  0.153574D+01  0.248463D+01 -0.220466D+01  0.874129D+00
      2   0.100226D+01 -0.449696D+01  0.104746D+01 -0.447809D+01 -0.284211D+01
      3  -0.436909D+01  0.296122D+01 -0.353209D+01  0.668274D+01  0.196798D+01
      4   0.985668D+01 -0.552439D+01  0.625908D+01 -0.757341D+01 -0.145999D+01
      5  -0.117354D+02  0.124864D+02 -0.821872D+01  0.121246D+02 -0.381497D+01
      6   0.137052D+02 -0.668702D+01  0.103181D+02 -0.994109D+01  0.919055D+00
               146           147           148           149           150 
      1  -0.154011D+01 -0.507336D+01 -0.193361D+01  0.754804D+00 -0.137893D+01
      2   0.564832D+00  0.288760D+01  0.559731D+00 -0.118790D+01  0.601157D+00
      3   0.975273D+00  0.218576D+01  0.137388D+01  0.433095D+00  0.777775D+00
      4   0.307124D+01  0.384058D+00  0.552595D+01 -0.148112D+00 -0.427772D+01
      5   0.250791D+00  0.663615D+01  0.723159D+00 -0.406289D+01 -0.143288D+01
      6  -0.522880D-01  0.460561D+00 -0.134807D+01  0.139327D+01  0.672427D+01
               151           152           153           154           155 
      1  -0.744478D+01 -0.112597D+01 -0.135744D+02  0.165738D+02  0.968151D+01
      2   0.839832D+01  0.281271D+00 -0.204515D+02 -0.555828D+01 -0.313535D+01
      3  -0.953542D+00  0.844700D+00  0.340259D+02 -0.110155D+02 -0.654616D+01
      4   0.103656D+01 -0.532988D+01 -0.249593D+01  0.105733D+02  0.159434D+02
      5   0.154671D+02 -0.188667D+01 -0.467800D+02  0.146549D+01  0.248071D+00
      6  -0.190832D+01  0.676154D+01  0.836449D+01 -0.117213D+01 -0.240989D+01
               156           157           158           159           160 
      1   0.308441D+01  0.176508D+02  0.119485D+02  0.446674D+00  0.848051D+01
      2  -0.105316D+01 -0.727241D+01  0.265489D+01  0.119278D+01 -0.359661D+01
      3  -0.203125D+01 -0.103784D+02 -0.146034D+02 -0.163945D+01 -0.488391D+01
      4   0.115178D+01  0.193560D+02  0.307674D+02  0.329380D+01  0.272892D+01
      5   0.325695D+01 -0.162117D+01  0.316370D+01  0.773899D+01  0.397069D+01
      6   0.519014D+00 -0.180039D+01 -0.511725D+01  0.186614D+01  0.983061D+00
               161           162           163           164           165 
      1   0.198961D+01  0.700482D+00  0.444779D+02 -0.188424D+02  0.542232D+01
      2   0.107248D+00 -0.188220D+01 -0.168347D+02  0.509013D+01 -0.161386D+01
      3  -0.209685D+01  0.118172D+01 -0.276432D+02  0.137523D+02 -0.380846D+01
      4   0.674568D+01  0.467961D+01 -0.269737D+02  0.220018D+02 -0.282920D+01
      5   0.522908D+01  0.359390D+00  0.123159D+01 -0.466477D+00  0.721342D+01
      6   0.177064D+01  0.124586D+01  0.178077D+01 -0.251981D+01 -0.142549D+01
               166           167           168           169           170 
      1  -0.249585D+02  0.147786D+02 -0.154145D+01  0.136749D+02 -0.399230D+01
      2   0.629515D+01  0.220180D+01 -0.113146D+01 -0.499156D+01  0.746692D-01
      3   0.186633D+02 -0.169804D+02  0.267290D+01 -0.868335D+01  0.391763D+01
      4   0.279112D+02 -0.241306D+02  0.391432D+01 -0.729223D+01  0.767300D+01
      5   0.579157D+00  0.214502D+01 -0.742183D+01  0.788338D+01 -0.535494D+01
      6  -0.237825D+01  0.159030D+01  0.307367D+01 -0.204697D+01  0.223763D+01
               171 
      1   0.354564D+01
      2  -0.287634D+01
      3  -0.669296D+00
      4  -0.578433D+01
      5   0.171682D+01
      6  -0.768005D+00
 Leave Link  716 at Thu Aug 12 21:28:41 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.880671D+02 -0.158822D+00 -0.244228D+01
      2  -0.158822D+00  0.777365D+02  0.193119D+01
      3  -0.244228D+01  0.193119D+01  0.758147D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.236152D+01  0.146183D+01 -0.105152D+01
      2   0.569586D+01 -0.687667D+01  0.315116D+02
      3   0.696256D+01 -0.273295D+02  0.798538D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.761869D+02 -0.242241D+02  0.302960D+01
      2  -0.419834D+02  0.250965D+02 -0.910357D+01
      3  -0.342035D+02 -0.872390D+00  0.607397D+01
      4  -0.252669D+02  0.485842D+02 -0.186013D+02
      5   0.111695D+02 -0.209284D+02  0.631533D+02
      6  -0.515162D+01  0.135771D+01 -0.703303D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.161427D+00  0.248146D+01 -0.349929D+01  0.387236D+01 -0.473725D+01
      2   0.248146D+01 -0.419830D+01  0.146667D+00 -0.473725D+01 -0.263150D+01
      3  -0.349929D+01  0.146667D+00  0.109621D+01 -0.417902D-01 -0.207218D+01
                 6             7             8             9            10 
      1  -0.417902D-01 -0.469267D+01  0.482464D+00 -0.120908D+00  0.162088D+01
      2  -0.207218D+01  0.482464D+00 -0.244931D+01  0.372070D+00 -0.286453D+01
      3   0.499493D+00 -0.120908D+00  0.372070D+00  0.737046D+01  0.426084D+01
                11            12            13            14            15 
      1  -0.286453D+01  0.426084D+01 -0.621362D+01  0.462699D+01  0.180355D+00
      2   0.440982D+01  0.287567D+00  0.462699D+01  0.406846D+01  0.306040D+01
      3   0.287567D+00 -0.345496D+00  0.180355D+00  0.306040D+01  0.271142D-01
                16            17            18            19            20 
      1   0.649036D+01 -0.355262D+00 -0.958234D-02 -0.377867D+01  0.449579D+01
      2  -0.355262D+00  0.336930D+01  0.222918D+00  0.449579D+01 -0.225934D+01
      3  -0.958234D-02  0.222918D+00 -0.527039D+01 -0.138766D+01  0.556313D+00
                21            22            23            24            25 
      1  -0.138766D+01  0.704536D+01 -0.173622D+01 -0.573359D-01 -0.346102D+01
      2   0.556313D+00 -0.173622D+01 -0.191564D+00 -0.469275D+00  0.606993D+00
      3  -0.495472D+00 -0.573359D-01 -0.469275D+00  0.211128D+01 -0.634804D+00
                26            27            28            29            30 
      1   0.606993D+00 -0.634804D+00  0.909524D+00 -0.272257D+01 -0.787949D+00
      2  -0.242570D+01  0.219887D+01 -0.272257D+01  0.851988D-01  0.156202D+01
      3   0.219887D+01  0.664052D+01 -0.787949D+00  0.156202D+01  0.251091D+00
                31            32            33            34            35 
      1  -0.311184D+01  0.298529D-01  0.160696D+01 -0.334388D+01  0.166416D+01
      2   0.298529D-01 -0.610821D+00  0.365170D+00  0.166416D+01 -0.231372D+00
      3   0.160696D+01  0.365170D+00 -0.149046D+01  0.158765D+01 -0.112542D+01
                36            37            38            39            40 
      1   0.158765D+01  0.450804D+01  0.140786D+01 -0.166813D+01  0.129533D-01
      2  -0.112542D+01  0.140786D+01  0.169136D+01 -0.708159D+00 -0.819774D-01
      3  -0.302175D+01 -0.166813D+01 -0.708159D+00  0.412321D+00 -0.873149D+00
                41            42            43            44            45 
      1  -0.819774D-01 -0.873149D+00 -0.347007D+01 -0.173664D+01 -0.990111D+00
      2  -0.321265D+01 -0.164328D+01 -0.173664D+01 -0.213970D+01 -0.153937D+01
      3  -0.164328D+01 -0.648674D+00 -0.990111D+00 -0.153937D+01 -0.271103D+01
                46            47            48            49            50 
      1   0.136342D+01  0.326899D+01 -0.461664D+01  0.326444D+01 -0.351348D+01
      2   0.326899D+01 -0.331639D+01  0.145944D+00 -0.351348D+01 -0.254811D+01
      3  -0.461664D+01  0.145944D+00  0.638985D+00  0.136816D+00 -0.345083D+01
                51            52            53            54            55 
      1   0.136816D+00 -0.371522D+01 -0.428655D-01  0.419454D+00 -0.381700D+01
      2  -0.345083D+01 -0.428655D-01 -0.283401D+01 -0.929055D-01 -0.666236D+00
      3   0.466492D+00  0.419454D+00 -0.929055D-01  0.353709D+01  0.419519D-01
                56            57            58            59            60 
      1  -0.666236D+00  0.419519D-01 -0.197553D+01 -0.498729D+00 -0.980479D-03
      2  -0.621315D-01 -0.303983D+00 -0.498729D+00  0.479777D+01 -0.142835D+01
      3  -0.303983D+00  0.153819D+01 -0.980479D-03 -0.142835D+01 -0.158877D+01
                61            62            63            64            65 
      1  -0.571728D-01 -0.766395D+00  0.903552D+00 -0.620429D+01  0.235653D+01
      2  -0.766395D+00 -0.415824D+00 -0.477501D+00  0.235653D+01 -0.169789D+01
      3   0.903552D+00 -0.477501D+00 -0.357441D+01  0.292048D+01 -0.135027D+01
                66            67            68            69            70 
      1   0.292048D+01  0.368930D+01 -0.210216D+01 -0.105329D+01  0.551062D+01
      2  -0.135027D+01 -0.210216D+01  0.389140D+01  0.189802D+01 -0.972466D+00
      3  -0.185354D+01 -0.105329D+01  0.189802D+01  0.176685D+01 -0.289749D+01
                71            72            73            74            75 
      1  -0.972466D+00 -0.289749D+01  0.539424D+00 -0.805295D+00 -0.112964D+01
      2   0.237013D+01  0.216320D+01 -0.805295D+00  0.462661D+00  0.863054D-02
      3   0.216320D+01  0.614990D+01 -0.112964D+01  0.863054D-02  0.246666D+00
                76            77            78            79            80 
      1  -0.127095D+01  0.228968D+00  0.503879D-01 -0.128181D+01 -0.738865D-01
      2   0.228968D+00 -0.198323D+00 -0.127866D+01 -0.738865D-01 -0.160647D+01
      3   0.503879D-01 -0.127866D+01 -0.766656D+00  0.966235D-01 -0.821440D+00
                81            82            83            84            85 
      1   0.966235D-01 -0.143755D+01 -0.106292D+01 -0.105685D+01 -0.107583D+01
      2  -0.821440D+00 -0.106292D+01 -0.156631D+01 -0.179325D+00 -0.137240D+01
      3  -0.907655D+01 -0.105685D+01 -0.179325D+00 -0.451338D+00 -0.108768D+00
                86            87            88            89            90 
      1  -0.137240D+01 -0.108768D+00 -0.134122D+01 -0.174139D+00 -0.209502D+00
      2  -0.798826D+01 -0.166089D+01 -0.174139D+00 -0.181109D+01 -0.161773D+01
      3  -0.166089D+01 -0.160911D+01 -0.209502D+00 -0.161773D+01 -0.585584D+00
                91            92            93            94            95 
      1  -0.702235D+01 -0.330995D+01  0.241813D+00 -0.203872D+01 -0.170007D+01
      2  -0.330995D+01 -0.264524D+01  0.200048D-01 -0.170007D+01 -0.205051D+01
      3   0.241813D+00  0.200048D-01 -0.105025D+01  0.159760D+00  0.368766D-01
                96            97            98            99           100 
      1   0.159760D+00  0.240480D+01  0.129678D+01 -0.939742D+00 -0.105925D+01
      2   0.368766D-01  0.129678D+01  0.104989D+01 -0.525100D+00  0.196428D+00
      3  -0.532313D+00 -0.939742D+00 -0.525100D+00  0.344499D+00  0.517596D+00
               101           102           103           104           105 
      1   0.196428D+00  0.517596D+00  0.481167D+00 -0.327357D+00 -0.106294D+00
      2  -0.133999D+01 -0.224970D+00 -0.327357D+00  0.146047D+01  0.860125D+00
      3  -0.224970D+00 -0.183297D+01 -0.106294D+00  0.860125D+00  0.187486D+01
               106           107           108           109           110 
      1   0.147041D+01 -0.822336D-01 -0.975874D+00  0.575347D+01  0.218551D+01
      2  -0.822336D-01  0.211987D+01  0.179141D+01  0.218551D+01  0.248057D+01
      3  -0.975874D+00  0.179141D+01  0.390954D+01 -0.371300D+00  0.163559D+00
               111           112           113           114           115 
      1  -0.371300D+00  0.228372D+01  0.118046D+01  0.359979D+00 -0.782592D+00
      2   0.163559D+00  0.118046D+01  0.179574D+01 -0.304884D-01  0.354702D+00
      3   0.660703D+00  0.359979D+00 -0.304884D-01  0.743211D+00  0.258287D+00
               116           117           118           119           120 
      1   0.354702D+00  0.258287D+00  0.937450D+00  0.749941D+00  0.117290D+01
      2  -0.427517D+00  0.556735D+00  0.749941D+00  0.138759D+01  0.584286D+00
      3   0.556735D+00 -0.360808D+00  0.117290D+01  0.584286D+00  0.826868D+00
               121           122           123           124           125 
      1   0.133734D+01  0.129014D+01  0.881134D+00  0.875077D+00  0.474406D+00
      2   0.129014D+01  0.517779D+01  0.197930D+01  0.474406D+00  0.163055D+01
      3   0.881134D+00  0.197930D+01  0.293204D+01  0.460944D+00  0.156854D+01
               126           127           128           129           130 
      1   0.460944D+00 -0.540208D+01 -0.124339D+01  0.236256D+01 -0.118203D+01
      2   0.156854D+01 -0.124339D+01 -0.102350D+01  0.909640D+00 -0.630758D+00
      3   0.173614D+01  0.236256D+01  0.909640D+00 -0.327633D+01  0.568681D+00
               131           132           133           134           135 
      1  -0.630758D+00  0.568681D+00  0.176310D+01  0.585553D+00 -0.207046D+01
      2  -0.722881D+00  0.123871D+01  0.585553D+00  0.931983D+00 -0.750181D+00
      3   0.123871D+01 -0.102101D+01 -0.207046D+01 -0.750181D+00  0.267431D+01
               136           137           138           139           140 
      1   0.403870D+01 -0.262124D+01  0.258831D+01 -0.284561D+01  0.262202D+01
      2  -0.262124D+01  0.256733D+01 -0.140271D+01  0.262202D+01 -0.339098D+01
      3   0.258831D+01 -0.140271D+01  0.234512D+01 -0.145954D+01  0.236909D+01
               141           142           143           144           145 
      1  -0.145954D+01  0.152728D+01 -0.925015D+00  0.157430D+01  0.126519D+00
      2   0.236909D+01 -0.925015D+00  0.154436D+01 -0.157747D+01 -0.233255D+00
      3  -0.242935D+01  0.157430D+01 -0.157747D+01  0.203684D+01 -0.799989D+00
               146           147           148           149           150 
      1  -0.233255D+00 -0.799989D+00 -0.508535D+00  0.740863D+00  0.625931D-01
      2   0.256480D+00  0.722906D-02  0.740863D+00 -0.102011D-02 -0.976223D+00
      3   0.722906D-02 -0.381118D-01  0.625931D-01 -0.976223D+00 -0.410007D+00
               151           152           153           154           155 
      1  -0.187307D+01  0.122411D+00  0.189965D+01  0.234546D+01  0.157611D+01
      2   0.122411D+00 -0.106949D+01 -0.342349D+00  0.157611D+01  0.210152D+01
      3   0.189965D+01 -0.342349D+00 -0.981209D+01  0.469281D+00  0.832418D-01
               156           157           158           159           160 
      1   0.469281D+00  0.298738D+01  0.251390D+01 -0.125072D+00  0.145406D+01
      2   0.832418D-01  0.251390D+01  0.554427D+01  0.585926D+00  0.351492D+00
      3   0.437554D+00 -0.125072D+00  0.585926D+00  0.125117D+01  0.568693D+00
               161           162           163           164           165 
      1   0.351492D+00  0.568693D+00  0.641688D+01 -0.318924D+01  0.741724D+00
      2   0.126684D+01  0.854798D+00 -0.318924D+01  0.266656D+01 -0.305683D+00
      3   0.854798D+00 -0.625682D-01  0.741724D+00 -0.305683D+00  0.889794D+00
               166           167           168           169           170 
      1  -0.475135D+01  0.346721D+01 -0.180453D+00  0.252304D+01 -0.810058D+00
      2   0.346721D+01 -0.318928D+01  0.616557D+00 -0.810058D+00  0.112755D+01
      3  -0.180453D+00  0.616557D+00 -0.117616D+01  0.107931D+01 -0.859075D+00
               171 
      1   0.107931D+01
      2  -0.859075D+00
      3   0.758928D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.354423D+01  0.374335D+01  0.445533D+00  0.479901D+01  0.144664D+01
      2  -0.914387D+01  0.233968D+01  0.105160D+01  0.345448D+01 -0.963681D+01
      3  -0.704912D+01  0.927200D+01  0.124927D+01  0.173390D+02  0.104982D+02
                 6             7             8             9            10 
      1  -0.568064D+00  0.611877D+00  0.345433D+01  0.144451D+01  0.351339D+01
      2   0.984043D+00 -0.888459D+01  0.126572D+01  0.218964D+02  0.760045D+01
      3   0.443052D+01 -0.815111D+00  0.673240D+01 -0.112559D+01  0.100845D+01
                11            12            13            14            15 
      1  -0.786425D+00  0.573213D-01 -0.771095D+00  0.419182D+01 -0.510669D+01
      2  -0.138283D+01  0.431309D+01 -0.415890D+01  0.449687D+01 -0.390081D+00
      3  -0.440008D+01 -0.185524D+01  0.158482D+01 -0.115811D+02 -0.340680D+01
                16            17            18            19            20 
      1  -0.677081D+00  0.197263D+01 -0.279090D+01 -0.285434D+01 -0.387636D+00
      2  -0.258043D+01  0.959768D+00 -0.540092D+01 -0.158629D+01  0.221514D+01
      3  -0.959610D+00 -0.289244D+01 -0.787291D+00  0.757566D+01 -0.594148D+01
                21            22            23            24            25 
      1  -0.123884D+01  0.201206D+01  0.167893D+00  0.230774D+01 -0.298558D+01
      2   0.215868D+01  0.597842D+01 -0.179497D+01  0.253818D+01 -0.763831D+01
      3   0.782184D+00  0.167647D+01  0.568836D+00 -0.661673D+00 -0.222633D+01
                26            27            28            29            30 
      1   0.511134D+01 -0.253827D+01  0.156221D+01  0.333871D+01  0.191134D+01
      2   0.116817D+01 -0.176156D+01 -0.648612D+01 -0.124376D+01 -0.480197D+01
      3   0.158772D+01  0.458892D+00 -0.104263D+02  0.215231D+01 -0.194271D+01
                31            32            33            34            35 
      1   0.100339D+00 -0.790847D+01 -0.740725D+00  0.116741D+01  0.223512D+01
      2   0.326509D+01  0.211600D+01  0.315635D+00 -0.105586D+02  0.157818D+00
      3   0.483258D+01  0.381948D+01 -0.242400D+01 -0.583268D+01 -0.664554D+01
                36            37            38            39            40 
      1   0.656992D+01 -0.300332D+01 -0.782438D+00 -0.486583D+00  0.677465D-02
      2   0.892406D+01  0.606590D+01  0.282106D+01  0.996755D+00 -0.270893D+01
      3  -0.220576D+01 -0.139890D+01 -0.123827D+01  0.805556D+00  0.480054D+01
                41            42            43            44            45 
      1   0.233415D+01 -0.435572D+01  0.263767D+01  0.343800D+01 -0.294579D+01
      2   0.238335D+01  0.201956D+01 -0.495817D+01  0.158456D+01  0.574883D+01
      3  -0.776472D+01 -0.227130D+01  0.248406D+01 -0.208411D+01 -0.289183D+01
                46            47            48            49            50 
      1   0.291005D+01 -0.603123D+01  0.466357D+00 -0.648195D+01 -0.774852D+01
      2  -0.102741D+02 -0.642798D+01  0.137763D+02 -0.469014D+01  0.163941D+01
      3  -0.528703D+01  0.101802D+00  0.236565D+01  0.475244D+01  0.581654D+01
                51            52            53            54            55 
      1  -0.104082D+02 -0.150576D+00 -0.398825D+01  0.298884D+01  0.120834D+01
      2   0.646645D-03  0.612455D+01  0.295235D+00  0.252112D+01 -0.218706D+01
      3   0.436272D+01  0.219136D+01  0.358565D+01  0.474370D-01 -0.133222D+02
                56            57            58            59            60 
      1   0.281824D+01 -0.344270D+01  0.746999D+00 -0.289532D+01 -0.304994D+01
      2   0.260311D+00  0.258182D+01 -0.745535D+00 -0.276034D+00 -0.147256D+01
      3  -0.720744D+01 -0.554995D+00  0.465982D+01 -0.515313D+00  0.443799D+00
                61            62            63            64            65 
      1  -0.248939D+01  0.710845D+01  0.974697D+01 -0.651669D+00 -0.288125D+01
      2  -0.212644D+01 -0.302481D+00  0.995001D+00 -0.172430D+01  0.234108D+01
      3  -0.213100D+01 -0.209315D+01  0.389478D+01  0.277181D+01 -0.804318D+01
                66            67            68            69            70 
      1   0.109647D+01  0.729919D+00  0.264980D+01 -0.315596D+01 -0.408929D+00
      2   0.924733D+01  0.963559D+00 -0.507188D+01 -0.328672D+01  0.156877D+01
      3  -0.759215D+00  0.417457D+00  0.606261D+01  0.392763D+01  0.387957D+01
                71            72            73            74            75 
      1   0.490386D+01 -0.228237D+01  0.601580D+00 -0.374644D+00  0.301976D+00
      2  -0.341912D+01 -0.138318D+02  0.731626D+00 -0.708995D+00 -0.280798D+00
      3   0.713879D+01  0.360343D+01 -0.176722D+00 -0.152527D+00 -0.476302D+00
                76            77            78            79            80 
      1  -0.533292D+00  0.775513D+00 -0.102902D-01  0.450132D+00  0.360010D+01
      2  -0.112099D+01  0.165049D+00 -0.360181D+00 -0.418873D+01 -0.253997D-01
      3   0.161031D+01 -0.111258D+00 -0.284145D+00  0.515283D+00 -0.209281D+00
                81            82            83            84            85 
      1   0.189603D+01 -0.125719D+01 -0.327987D-01 -0.658083D+00 -0.219726D+00
      2   0.574857D+00 -0.176539D+01 -0.321128D+00  0.116462D+00 -0.533640D+00
      3  -0.163404D+00  0.397742D+01  0.170667D+01  0.124236D+01  0.571948D+01
                86            87            88            89            90 
      1   0.161341D+00 -0.395981D+01 -0.887798D-01  0.285441D+00 -0.442595D+00
      2  -0.164804D+01 -0.132206D+01 -0.207866D+01 -0.175754D+01 -0.519753D+00
      3   0.923025D+01  0.203010D+01  0.207507D+01  0.199784D+01  0.195230D+01
                91            92            93            94            95 
      1   0.327489D+01  0.195523D+01 -0.169244D+01  0.182960D+01  0.167154D+01
      2  -0.539296D+01 -0.290145D+01  0.340784D+01 -0.228983D+01 -0.168522D+01
      3   0.211093D+01 -0.295496D+01 -0.574847D+00  0.268426D+00 -0.164854D+01
                96            97            98            99           100 
      1  -0.815428D+00 -0.180202D+01 -0.714436D+00  0.116456D+01 -0.164530D+01
      2   0.138751D+01  0.283795D+01  0.154987D+01 -0.228144D+01  0.507896D+00
      3   0.234856D+00 -0.175730D+00  0.150979D+01 -0.244987D+00 -0.236933D+01
               101           102           103           104           105 
      1  -0.193831D+00  0.462034D+01 -0.131835D+00 -0.179980D+01 -0.501434D+01
      2   0.371580D+00  0.799167D-01  0.300615D+00  0.845902D-01  0.491999D-01
      3  -0.759154D+00  0.151088D+01  0.689358D+00 -0.823863D+00 -0.126527D+00
               106           107           108           109           110 
      1   0.268496D+01 -0.292105D+01 -0.117882D+02 -0.618964D+00 -0.164722D+01
      2  -0.210671D+01  0.238989D+00 -0.107686D+01  0.244875D+01  0.432006D+00
      3   0.460037D+01 -0.285878D+00 -0.316794D+01  0.166696D+02  0.158402D+01
               111           112           113           114           115 
      1  -0.240351D+01 -0.148026D+01 -0.731082D+00 -0.148070D+01 -0.485897D+00
      2   0.185733D+01  0.639602D+00  0.399837D+00  0.108231D+01 -0.868649D+00
      3  -0.351365D+00  0.459788D+01  0.203978D+01  0.946905D+00 -0.145033D+01
               116           117           118           119           120 
      1   0.200547D+00 -0.503238D+00  0.219102D+01  0.303268D+01  0.133267D+01
      2   0.440287D+00  0.889420D-01  0.213133D+00 -0.593027D+00  0.272131D+00
      3   0.772566D+00  0.125305D+00 -0.866890D+00 -0.293901D+01 -0.126002D+01
               121           122           123           124           125 
      1   0.260077D+01  0.138588D+02  0.290971D+01  0.169225D+01  0.506914D+01
      2  -0.236775D+01  0.241922D+00  0.307364D+01 -0.233413D+01  0.922436D+00
      3   0.112687D+00 -0.848199D+01 -0.243336D+01 -0.741448D+00 -0.181541D+01
               126           127           128           129           130 
      1   0.367574D+01 -0.331550D+00 -0.238804D+01 -0.126964D+01 -0.972099D+00
      2   0.134086D+01  0.166910D+02  0.319724D+01 -0.584260D+01  0.277403D+01
      3  -0.247769D+01  0.594167D+01  0.129496D+00 -0.195835D+01  0.246490D+01
               131           132           133           134           135 
      1  -0.427206D-01  0.480237D+00 -0.440076D+00  0.254444D+01  0.517359D+00
      2   0.246674D+01 -0.186363D+01 -0.764975D+01 -0.212036D+01  0.603738D+01
      3   0.859120D+00 -0.167475D+01 -0.170091D+01 -0.563038D+00  0.222648D+01
               136           137           138           139           140 
      1  -0.276002D+01  0.464140D+01  0.310481D+00  0.371772D+01 -0.480747D+01
      2  -0.423561D+01  0.276664D+01  0.786367D+00  0.397577D+01 -0.145265D+01
      3  -0.187059D+00 -0.316533D+01  0.163432D+00  0.202198D+00  0.338757D+01
               141           142           143           144           145 
      1   0.662643D+00 -0.725362D+00  0.293576D+01 -0.726609D+00 -0.197347D+00
      2  -0.154786D+01 -0.279508D+01  0.396116D-01  0.463439D+00 -0.256904D+01
      3  -0.215339D+01 -0.539561D+00 -0.195704D+01  0.900851D+00  0.811603D+00
               146           147           148           149           150 
      1  -0.170689D+00 -0.446009D-01 -0.558499D+00 -0.412947D+00 -0.177757D+00
      2  -0.135391D+00  0.360753D+00 -0.346076D+00 -0.141789D+01 -0.933600D+00
      3  -0.138684D+01  0.328187D+00 -0.944188D+00 -0.668068D+00  0.218256D+01
               151           152           153           154           155 
      1   0.462544D+00  0.380904D+01 -0.291932D+01 -0.117160D+01 -0.181302D+01
      2  -0.484646D+00 -0.774840D+00 -0.245338D+02  0.297234D+01  0.169752D+01
      3   0.495322D+00  0.304245D+01  0.446436D+00 -0.477128D+01 -0.705638D+01
               156           157           158           159           160 
      1  -0.887405D+00 -0.189859D+01 -0.420287D+01 -0.258089D+01 -0.326525D+00
      2   0.255088D+01  0.159121D+01  0.440171D+01  0.446582D+01  0.121425D+01
      3  -0.455933D+00 -0.482290D+01 -0.190205D+02 -0.232527D+01 -0.619068D+00
               161           162           163           164           165 
      1   0.226979D+00 -0.100334D+01  0.277405D+01 -0.204039D+01  0.158131D+01
      2   0.258837D+01  0.552481D+00  0.691099D+01 -0.375985D+01  0.528139D+01
      3  -0.428293D+01 -0.239002D+01  0.506547D+01 -0.856987D+01  0.774560D+00
               166           167           168           169           170 
      1  -0.227325D+01  0.232389D+01 -0.284910D+01  0.795684D+00 -0.403212D+00
      2  -0.398099D+01  0.458800D+01 -0.473986D+01  0.348085D+01 -0.273223D+01
      3  -0.593477D+01  0.825408D+01 -0.201987D+01  0.950729D+00 -0.353840D+01
               171 
      1   0.903575D+00
      2   0.148478D+01
      3   0.179858D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.878508D+00  0.130651D+02 -0.183646D+02  0.148237D+02 -0.286964D+02
      2  -0.634891D+01 -0.440156D+01  0.843703D+01 -0.505044D+01  0.867077D+01
      3   0.722742D+01 -0.866352D+01  0.992754D+01 -0.977323D+01  0.200257D+02
      4   0.163440D+02 -0.251382D+02  0.299458D+01 -0.332203D+02 -0.106533D+02
      5  -0.192311D+02 -0.671171D+00  0.641405D+01 -0.163985D+01 -0.815044D+01
      6   0.553505D+00  0.313947D+01 -0.877609D+00  0.267878D+01  0.404508D+01
                 6             7             8             9            10 
      1  -0.253831D+00 -0.230107D+02  0.246311D+01  0.137422D+02 -0.985527D+01
      2   0.148316D+01  0.744023D+01  0.330482D+00  0.888987D+01  0.579586D+00
      3  -0.122933D+01  0.155705D+02 -0.279359D+01 -0.226320D+02  0.927568D+01
      4  -0.104066D+02  0.510025D+01 -0.134830D+02  0.236838D+01 -0.569716D+01
      5   0.146625D+01  0.269594D+01  0.163837D+01  0.316653D+02  0.156997D+02
      6   0.165555D+01  0.344749D+00  0.192999D+01 -0.755417D+01 -0.471882D+01
                11            12            13            14            15 
      1  -0.281528D+01  0.139662D+02 -0.367733D+01  0.200504D+02  0.388983D+01
      2   0.301929D-01 -0.960506D+01  0.573466D+00 -0.238298D+02 -0.598952D+01
      3   0.278509D+01 -0.436116D+01  0.310386D+01  0.377937D+01  0.209970D+01
      4   0.905404D+01 -0.267295D+01  0.181297D+02  0.315110D+01  0.488999D+01
      5   0.347428D+00 -0.255155D+01  0.577845D+00  0.503327D+01 -0.427677D+00
      6  -0.351576D+00  0.332883D+00  0.228000D+00 -0.915184D+01  0.319091D+01
                16            17            18            19            20 
      1   0.179089D+02  0.122404D+01  0.265323D+01 -0.513060D+01 -0.372870D+00
      2  -0.901811D+01 -0.419296D+01 -0.153235D+01  0.852917D+01 -0.423657D+01
      3  -0.889081D+01  0.296892D+01 -0.112088D+01 -0.339856D+01  0.460944D+01
      4  -0.440881D+01  0.575196D+01  0.119657D+01 -0.111319D+01 -0.152032D+01
      5  -0.174607D+01  0.139954D+01 -0.126609D+02 -0.460272D+01 -0.938181D+00
      6  -0.276760D+00 -0.262168D+01  0.453740D+01  0.674900D+00  0.861303D+00
                21            22            23            24            25 
      1  -0.228968D+01  0.437172D+01  0.337167D+00  0.139559D+01 -0.773900D+01
      2   0.431309D+01 -0.532405D+01 -0.146033D+01  0.341936D+01  0.447160D+01
      3  -0.202341D+01  0.952329D+00  0.112317D+01 -0.481496D+01  0.326740D+01
      4   0.825563D+00 -0.112641D+02  0.426539D+01 -0.186803D+01  0.311811D+01
      5   0.151937D+01  0.833515D+00  0.822327D+00  0.471603D+01  0.235349D+01
      6  -0.438230D+00 -0.252738D+01  0.417242D+01 -0.696886D+01 -0.855510D+00
                26            27            28            29            30 
      1   0.770743D+01  0.860669D+01 -0.746586D+01  0.943724D+01 -0.615647D+00
      2  -0.452624D+01  0.176581D+02  0.336552D+01 -0.712440D+01 -0.339679D+01
      3  -0.318119D+01 -0.262648D+02  0.410034D+01 -0.231284D+01  0.401244D+01
      4   0.100378D+00 -0.154949D+01  0.798090D+01 -0.783643D+01 -0.754784D+01
      5  -0.526204D+00 -0.329141D-02  0.751955D+01 -0.713422D+01 -0.115071D+02
      6   0.513944D+01 -0.149794D+01 -0.510099D+01  0.185451D+01 -0.250049D+01
                31            32            33            34            35 
      1   0.111683D+02  0.222997D+01 -0.426887D+01  0.126618D+02 -0.371713D+01
      2  -0.640442D+01 -0.478780D+01  0.794198D+01 -0.736463D+01 -0.224160D+01
      3  -0.476386D+01  0.255783D+01 -0.367311D+01 -0.529712D+01  0.595874D+01
      4  -0.517080D+01 -0.258373D+01  0.161134D+00 -0.113131D+02  0.720921D+01
      5  -0.146621D+02  0.107316D+01 -0.237562D+01 -0.988930D+01  0.149661D+01
      6  -0.245012D+01 -0.562958D+01 -0.162774D+01 -0.120748D+01 -0.128920D+01
                36            37            38            39            40 
      1  -0.710442D+01 -0.144034D+02 -0.669009D+01  0.761449D+01 -0.541957D+01
      2   0.502146D+01  0.224129D+01  0.284118D+01 -0.460538D+01  0.236078D+01
      3   0.208296D+01  0.121621D+02  0.384891D+01 -0.300911D+01  0.305880D+01
      4   0.387122D+01 -0.125754D+02 -0.262294D+01  0.595180D+01  0.590109D+01
      5   0.149187D+02  0.756474D+01  0.344807D+01  0.747413D+01  0.731741D+01
      6  -0.527001D+01  0.529462D+01  0.201609D+01  0.145468D+01  0.548546D+01
                41            42            43            44            45 
      1  -0.142271D+02 -0.908061D+00  0.121861D+02  0.131078D+01 -0.424572D+01
      2   0.198021D+02  0.402872D+00 -0.507368D+01  0.214283D+01 -0.372806D+01
      3  -0.557502D+01  0.505189D+00 -0.711241D+01 -0.345360D+01  0.797378D+01
      4   0.150229D+02  0.721003D+01  0.131946D+02  0.106275D+02  0.529558D+01
      5   0.730161D+01  0.716409D+01  0.115793D+02  0.815643D+01  0.145189D+02
      6   0.834346D+01  0.921694D+01  0.330154D+01  0.989163D+01  0.877922D+01
                46            47            48            49            50 
      1   0.126738D+02  0.686790D+01 -0.112552D+02  0.568596D+01 -0.414647D+01
      2  -0.987816D+00  0.106241D+00  0.316349D+01  0.307001D+00  0.101857D+02
      3  -0.116860D+02 -0.697414D+01  0.809173D+01 -0.599296D+01 -0.603924D+01
      4   0.631813D+01 -0.149021D+02  0.908965D+01 -0.164338D+02 -0.192234D+01
      5  -0.590021D+01  0.107052D+02 -0.124287D+02  0.886541D+01 -0.197093D+02
      6   0.166371D+02 -0.118731D+02 -0.101606D+00 -0.131936D+02 -0.499993D+01
                51            52            53            54            55 
      1   0.873657D+00 -0.103955D+02 -0.659548D+00 -0.757386D+01  0.147058D+01
      2   0.343957D+01  0.240779D+01  0.283978D+01 -0.599259D+01 -0.315602D+01
      3  -0.431323D+01  0.798770D+01 -0.218023D+01  0.135665D+02  0.168544D+01
      4  -0.122550D+02  0.712124D+01 -0.875415D+01 -0.133977D+00 -0.183374D+02
      5   0.118888D+01 -0.125212D+02 -0.814803D+00  0.107588D+02  0.582643D+01
      6  -0.148921D+02 -0.344196D+00 -0.111478D+02 -0.763842D+00 -0.168333D+01
                56            57            58            59            60 
      1  -0.234333D+01  0.260722D+01 -0.337516D+01 -0.225235D+02  0.304479D+01
      2  -0.812756D+00 -0.255075D+01  0.129302D+01  0.343683D+02 -0.569015D+01
      3   0.315609D+01 -0.564697D-01  0.208214D+01 -0.118448D+02  0.264536D+01
      4  -0.141806D+00 -0.278728D+01  0.276655D+01 -0.404185D+01  0.250908D+00
      5  -0.178903D+01  0.444991D+01 -0.401586D+00 -0.546797D+00 -0.319699D+01
      6  -0.222209D+01  0.514583D+01  0.455824D+00 -0.679952D+01  0.638993D+01
                61            62            63            64            65 
      1   0.130579D+01  0.464859D+01 -0.119014D+01  0.344518D+02 -0.943878D+01
      2  -0.410947D+01 -0.949371D+00 -0.611123D+01 -0.187519D+02  0.400115D+01
      3   0.280368D+01 -0.369922D+01  0.730137D+01 -0.156999D+02  0.543763D+01
      4  -0.220112D+01 -0.104287D+01  0.337265D+01 -0.146832D+02  0.166705D+02
      5   0.337515D+01 -0.161305D+00  0.161984D+01 -0.171540D+02  0.766372D+01
      6   0.311801D+01  0.156913D+01 -0.173315D+02  0.254781D+01 -0.293757D+01
                66            67            68            69            70 
      1  -0.908055D+01 -0.116628D+02  0.178619D+01  0.112855D+01 -0.135051D+02
      2   0.936471D+01  0.462254D+01  0.449422D+01 -0.200845D+01  0.948024D+01
      3  -0.284163D+00  0.704024D+01 -0.628041D+01  0.879894D+00  0.402488D+01
      4   0.764302D+01  0.162624D+02 -0.161313D+02 -0.935598D+01  0.607308D+01
      5   0.192020D+02  0.697571D+01 -0.966086D+01 -0.669996D+01  0.212377D+02
      6  -0.174290D+01 -0.427234D+01  0.308178D+01  0.740079D+01 -0.335232D+01
                71            72            73            74            75 
      1   0.470578D+00  0.233910D+01  0.108845D+01  0.165183D+00  0.163236D-01
      2  -0.478396D+00 -0.144685D+02 -0.519670D+01  0.620270D+00 -0.780148D-01
      3   0.781756D-02  0.121294D+02  0.410824D+01 -0.785453D+00  0.616911D-01
      4  -0.126305D+02 -0.107478D+02 -0.254627D+00  0.164589D+01 -0.370277D+00
      5  -0.912264D+01 -0.291958D+02  0.124859D+00  0.415345D+00  0.643099D+01
      6   0.700947D+01  0.401770D+01 -0.159516D+00  0.373009D+00 -0.398105D+00
                76            77            78            79            80 
      1   0.826217D+00 -0.367790D+01 -0.991926D+00  0.921562D+00 -0.327218D-01
      2   0.320032D+00 -0.878131D+00 -0.278165D+01  0.966591D-01 -0.438404D+01
      3  -0.114625D+01  0.455603D+01  0.377357D+01 -0.101822D+01  0.441677D+01
      4   0.238300D+01 -0.226538D+00  0.487739D+00 -0.993670D-02  0.103372D+00
      5   0.448919D+00 -0.289908D-01 -0.569828D+00  0.538082D+01  0.925727D-01
      6   0.765709D+00  0.423258D+00  0.731902D+01  0.639291D+00  0.493190D+01
                81            82            83            84            85 
      1  -0.199869D+02 -0.777079D+00 -0.379814D+01 -0.267132D+01 -0.540554D+01
      2  -0.198516D+02  0.444825D+01  0.510074D+01  0.239048D+01  0.584238D+01
      3   0.398385D+02 -0.367117D+01 -0.130260D+01  0.280847D+00 -0.436836D+00
      4   0.104205D+01  0.117627D+01  0.415135D+01  0.103334D+01  0.257715D+01
      5   0.790589D+00 -0.146833D+01  0.832376D+00  0.121188D+01  0.110537D+01
      6  -0.136889D+01  0.200232D+01  0.186951D+01  0.852365D+00  0.136169D+01
                86            87            88            89            90 
      1  -0.202618D+02 -0.280576D+01 -0.406852D+01 -0.423974D+01 -0.517408D+01
      2   0.321557D+02  0.580242D+01  0.267779D+01  0.457775D+01  0.327529D+01
      3  -0.118939D+02 -0.299666D+01  0.139073D+01 -0.338005D+00  0.189879D+01
      4  -0.968796D+01 -0.205941D+01  0.463390D+00 -0.222852D+01 -0.165772D+01
      5  -0.222763D+01 -0.318291D+01  0.236876D+01 -0.217492D+01 -0.563287D-01
      6   0.853989D+01  0.690144D+01  0.158283D+01  0.913462D+01  0.448291D+01
                91            92            93            94            95 
      1   0.340068D+02  0.130738D+02 -0.217727D+01  0.570245D+01  0.455917D+01
      2  -0.117067D+02 -0.224099D+01  0.515468D-01  0.967217D+00  0.222790D+01
      3  -0.223001D+02 -0.108328D+02  0.212573D+01 -0.666966D+01 -0.678707D+01
      4   0.254086D+02  0.166306D+02 -0.811002D+00  0.120924D+02  0.111548D+02
      5   0.267726D+01  0.152905D+01  0.465281D+01  0.522295D+00  0.659706D+00
      6  -0.943955D+00  0.253051D+00  0.208255D+01  0.335900D+00  0.212617D+00
                96            97            98            99           100 
      1  -0.435011D+00 -0.103642D+02 -0.451693D+01  0.324137D+01  0.645358D-02
      2  -0.315687D+00  0.311616D+01  0.296361D+00 -0.128634D+01  0.242891D+00
      3   0.750698D+00  0.724800D+01  0.422057D+01 -0.195503D+01 -0.249345D+00
      4  -0.590484D+00 -0.905907D+01 -0.639905D+01  0.392968D+01 -0.151880D+01
      5   0.177449D+01  0.496834D+01  0.249299D+01 -0.188549D+01 -0.925195D+00
      6   0.166820D+01  0.312990D+01  0.223031D+01 -0.153118D+01  0.239267D+01
               101           102           103           104           105 
      1   0.324364D+01 -0.325975D+00  0.109116D+01 -0.403655D+01 -0.251286D+01
      2  -0.476833D+01 -0.879697D+00 -0.147787D+01  0.593700D+01  0.337876D+01
      3   0.152470D+01  0.120567D+01  0.386710D+00 -0.190045D+01 -0.865897D+00
      4   0.230452D+01  0.168816D+01  0.270236D+01 -0.123356D+01 -0.587233D+00
      5   0.247014D+00  0.670570D+00  0.393186D+00 -0.559050D+00  0.310159D+00
      6   0.579920D+00 -0.669291D+01 -0.535083D+00  0.322541D+01  0.945844D+01
               106           107           108           109           110 
      1   0.867673D+00 -0.662034D+01 -0.771971D+01  0.575591D+01 -0.221396D+01
      2  -0.942102D-01  0.800415D+01  0.523692D+01  0.380662D+01  0.852934D+01
      3  -0.773463D+00 -0.138381D+01  0.248279D+01 -0.956253D+01 -0.631538D+01
      4   0.397989D+01 -0.746436D+00 -0.362075D+01  0.210451D+02  0.131085D+02
      5   0.133629D+01 -0.578158D+00 -0.462105D+00 -0.417380D+01 -0.764933D+00
      6  -0.461250D+01  0.999106D+01  0.164519D+02 -0.189203D+01 -0.270378D+00
               111           112           113           114           115 
      1  -0.127969D+01  0.783515D+00 -0.956044D+00  0.338544D+00 -0.197330D+01
      2   0.134674D+01  0.374275D+01  0.581267D+01 -0.350522D+00  0.259712D+01
      3  -0.670564D-01 -0.452627D+01 -0.485662D+01  0.119779D-01 -0.623824D+00
      4  -0.857664D+00  0.120233D+02  0.725046D+01  0.168126D+01 -0.130696D+01
      5   0.246240D+01 -0.303421D+00 -0.809528D-01  0.138145D+01  0.322290D+01
      6   0.285981D+01  0.115361D+01 -0.358902D+00  0.306294D+01  0.802385D+00
               116           117           118           119           120 
      1   0.506986D+00 -0.850773D+00  0.221168D+01  0.230629D+01  0.186448D+01
      2   0.345571D+00  0.610525D+00 -0.321969D+01 -0.279711D+01 -0.320984D+01
      3  -0.852557D+00  0.240248D+00  0.100801D+01  0.490823D+00  0.134536D+01
      4   0.148416D+01  0.117270D+01  0.367197D+01  0.707126D+01  0.147460D+01
      5   0.556640D+00 -0.854848D+00  0.616916D+01  0.423614D+01  0.774194D+01
      6   0.356407D+01 -0.574685D+00  0.208210D+01  0.562621D+01  0.219758D+01
               121           122           123           124           125 
      1   0.364187D+01 -0.301673D+01 -0.472370D+01  0.943562D+00 -0.290137D+01
      2  -0.417797D+01 -0.411154D+00 -0.667288D+01 -0.220134D+01 -0.391874D+01
      3   0.536104D+00  0.342789D+01  0.113966D+02  0.125778D+01  0.682011D+01
      4   0.677889D+01  0.137077D+02  0.678403D+01  0.828462D+00  0.478044D+01
      5   0.720770D+01  0.108945D+02  0.104090D+02  0.602425D+01  0.596000D+01
      6   0.588446D+01  0.187576D+02  0.104941D+02  0.240738D+01  0.101053D+02
               126           127           128           129           130 
      1  -0.430058D+01 -0.936605D+01 -0.561137D+01  0.129188D+02 -0.439590D+01
      2  -0.420487D+01  0.340670D+00  0.235252D+01  0.262328D+01  0.229464D+01
      3   0.850545D+01  0.902538D+01  0.325885D+01 -0.155421D+02  0.210127D+01
      4   0.430747D+01  0.592447D+01  0.361206D+01 -0.358473D+01  0.434059D+01
      5   0.652975D+01 -0.135586D+02 -0.389042D+01  0.607302D+01 -0.373192D+01
      6   0.688053D+01 -0.735698D+01 -0.568048D+01  0.722835D+01 -0.368344D+01
               131           132           133           134           135 
      1  -0.452756D+01  0.404847D+01  0.964273D+01  0.371285D+01 -0.114466D+02
      2   0.201745D+01 -0.114908D+01  0.188883D+01 -0.643684D+00 -0.437167D+01
      3   0.251012D+01 -0.289939D+01 -0.115316D+02 -0.306916D+01  0.158183D+02
      4   0.162482D+01  0.428294D+00 -0.252890D+01 -0.120378D+00  0.232752D+01
      5   0.411503D-01  0.893741D+00  0.787313D+01  0.165730D+01 -0.554615D+01
      6  -0.412552D+01  0.717584D+01  0.482312D+01  0.621041D+01 -0.622754D+01
               136           137           138           139           140 
      1   0.117084D+02 -0.438598D+01  0.238264D+01 -0.481138D+01 -0.219894D+01
      2  -0.766266D+01  0.386351D+00 -0.595722D+01  0.316693D+00  0.567519D+01
      3  -0.404576D+01  0.399963D+01  0.357458D+01  0.449468D+01 -0.347626D+01
      4  -0.159881D+02  0.146332D+02 -0.884441D+01  0.154057D+02 -0.163441D+02
      5   0.201078D+02 -0.123375D+02  0.168925D+02 -0.131896D+02  0.138925D+02
      6  -0.118571D+02  0.117441D+02 -0.895627D+01  0.113969D+02 -0.156714D+02
               141           142           143           144           145 
      1   0.336683D+01  0.153574D+01  0.248463D+01 -0.220466D+01  0.874129D+00
      2   0.100226D+01 -0.449696D+01  0.104746D+01 -0.447809D+01 -0.284211D+01
      3  -0.436909D+01  0.296122D+01 -0.353209D+01  0.668274D+01  0.196798D+01
      4   0.985668D+01 -0.552439D+01  0.625908D+01 -0.757341D+01 -0.145999D+01
      5  -0.117354D+02  0.124864D+02 -0.821872D+01  0.121246D+02 -0.381497D+01
      6   0.137052D+02 -0.668702D+01  0.103181D+02 -0.994109D+01  0.919055D+00
               146           147           148           149           150 
      1  -0.154011D+01 -0.507336D+01 -0.193361D+01  0.754804D+00 -0.137893D+01
      2   0.564832D+00  0.288760D+01  0.559731D+00 -0.118790D+01  0.601157D+00
      3   0.975273D+00  0.218576D+01  0.137388D+01  0.433095D+00  0.777775D+00
      4   0.307124D+01  0.384058D+00  0.552595D+01 -0.148112D+00 -0.427772D+01
      5   0.250791D+00  0.663615D+01  0.723159D+00 -0.406289D+01 -0.143288D+01
      6  -0.522880D-01  0.460561D+00 -0.134807D+01  0.139327D+01  0.672427D+01
               151           152           153           154           155 
      1  -0.744478D+01 -0.112597D+01 -0.135744D+02  0.165738D+02  0.968151D+01
      2   0.839832D+01  0.281271D+00 -0.204515D+02 -0.555828D+01 -0.313535D+01
      3  -0.953542D+00  0.844700D+00  0.340259D+02 -0.110155D+02 -0.654616D+01
      4   0.103656D+01 -0.532988D+01 -0.249593D+01  0.105733D+02  0.159434D+02
      5   0.154671D+02 -0.188667D+01 -0.467800D+02  0.146549D+01  0.248071D+00
      6  -0.190832D+01  0.676154D+01  0.836449D+01 -0.117213D+01 -0.240989D+01
               156           157           158           159           160 
      1   0.308441D+01  0.176508D+02  0.119485D+02  0.446674D+00  0.848051D+01
      2  -0.105316D+01 -0.727241D+01  0.265489D+01  0.119278D+01 -0.359661D+01
      3  -0.203125D+01 -0.103784D+02 -0.146034D+02 -0.163945D+01 -0.488391D+01
      4   0.115178D+01  0.193560D+02  0.307674D+02  0.329380D+01  0.272892D+01
      5   0.325695D+01 -0.162117D+01  0.316370D+01  0.773899D+01  0.397069D+01
      6   0.519014D+00 -0.180039D+01 -0.511725D+01  0.186614D+01  0.983061D+00
               161           162           163           164           165 
      1   0.198961D+01  0.700482D+00  0.444779D+02 -0.188424D+02  0.542232D+01
      2   0.107248D+00 -0.188220D+01 -0.168347D+02  0.509013D+01 -0.161386D+01
      3  -0.209685D+01  0.118172D+01 -0.276432D+02  0.137523D+02 -0.380846D+01
      4   0.674568D+01  0.467961D+01 -0.269737D+02  0.220018D+02 -0.282920D+01
      5   0.522908D+01  0.359390D+00  0.123159D+01 -0.466477D+00  0.721342D+01
      6   0.177064D+01  0.124586D+01  0.178077D+01 -0.251981D+01 -0.142549D+01
               166           167           168           169           170 
      1  -0.249585D+02  0.147786D+02 -0.154145D+01  0.136749D+02 -0.399230D+01
      2   0.629515D+01  0.220180D+01 -0.113146D+01 -0.499156D+01  0.746692D-01
      3   0.186633D+02 -0.169804D+02  0.267290D+01 -0.868335D+01  0.391763D+01
      4   0.279112D+02 -0.241306D+02  0.391432D+01 -0.729223D+01  0.767300D+01
      5   0.579157D+00  0.214502D+01 -0.742183D+01  0.788338D+01 -0.535494D+01
      6  -0.237825D+01  0.159030D+01  0.307367D+01 -0.204697D+01  0.223763D+01
               171 
      1   0.354564D+01
      2  -0.287634D+01
      3  -0.669296D+00
      4  -0.578433D+01
      5   0.171682D+01
      6  -0.768005D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.888583D+00      0.225855D+01      0.753372D+01
   x          0.604592D+00      0.153672D+01      0.512594D+01
   y         -0.648839D+00     -0.164919D+01     -0.550109D+01
   z         -0.552847D-01     -0.140520D+00     -0.468724D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.746173D+02      0.110571D+02      0.123027D+02
   aniso      0.133434D+02      0.197729D+01      0.220003D+01
   xx         0.822684D+02      0.121909D+02      0.135642D+02
   yx         0.708673D+00      0.105015D+00      0.116844D+00
   yy         0.716521D+02      0.106177D+02      0.118138D+02
   zx        -0.279313D+01     -0.413898D+00     -0.460524D+00
   zy         0.252988D+01      0.374890D+00      0.417121D+00
   zz         0.699315D+02      0.103628D+02      0.115301D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.805395D+02      0.119347D+02      0.132792D+02
   aniso      0.126264D+02      0.187104D+01      0.208182D+01
   xx         0.880671D+02      0.130502D+02      0.145203D+02
   yx        -0.158822D+00     -0.235350D-01     -0.261863D-01
   yy         0.777365D+02      0.115194D+02      0.128170D+02
   zx        -0.244228D+01     -0.361908D+00     -0.402677D+00
   zy         0.193119D+01      0.286174D+00      0.318411D+00
   zz         0.758147D+02      0.112346D+02      0.125002D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.86226565          1.26513217          3.58459217
     6          0.45728691          0.54899311          2.15539016
     6          1.13324831         -0.53641276         -0.50075621
     6         -1.23908976         -1.57726423         -1.71160786
     8         -1.95896519         -3.78688209         -0.65227171
     6         -1.37545119          2.77427411          2.01174806
     7          2.31371840          1.19192717         -2.27462878
     8         -2.43033892         -0.56524136         -3.36385055
     1          2.39832729         -2.13975496         -0.17962232
     1         -0.45521485         -0.99158164          3.18819802
     1         -3.52678812         -4.28334591         -1.46217920
     1          0.98993673          2.25459485         -3.15767131
     1          3.57315121          2.34004742         -1.41283401
     1         -0.54095941          4.35578203          0.98180569
     1         -3.13539721          2.26948058          1.06475661
     1         -1.84202862          3.44108070          3.90631371
     1          4.16971419         -0.32612988          3.70913674
     1          3.84871799          2.83518010          2.67392913
     1          2.40937100          1.86981734          5.50335310

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.888583D+00      0.225855D+01      0.753372D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.888583D+00      0.225855D+01      0.753372D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.746173D+02      0.110571D+02      0.123027D+02
   aniso      0.133434D+02      0.197729D+01      0.220003D+01
   xx         0.740583D+02      0.109743D+02      0.122106D+02
   yx         0.426659D+01      0.632243D+00      0.703465D+00
   yy         0.734714D+02      0.108873D+02      0.121138D+02
   zx         0.613267D+01      0.908769D+00      0.101114D+01
   zy         0.112647D+01      0.166925D+00      0.185729D+00
   zz         0.763224D+02      0.113098D+02      0.125839D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.805395D+02      0.119347D+02      0.132792D+02
   aniso      0.126264D+02      0.187104D+01      0.208182D+01
   xx         0.797008D+02      0.118104D+02      0.131409D+02
   yx         0.380429D+01      0.563737D+00      0.627242D+00
   yy         0.788660D+02      0.116867D+02      0.130032D+02
   zx         0.558257D+01      0.827252D+00      0.920442D+00
   zy         0.161157D+01      0.238810D+00      0.265712D+00
   zz         0.830516D+02      0.123070D+02      0.136934D+02

 ----------------------------------------------------------------------
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 SCIENCE AND PEACE WILL TRIUMPH OVER IGNORANCE AND WAR

                          -- PASTEUR
 Job cpu time:       0 days  3 hours 46 minutes  2.7 seconds.
 Elapsed time:       0 days  0 hours 28 minutes 20.5 seconds.
 File lengths (MBytes):  RWF=    240 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 21:28:42 2021.
